smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(C)c1c2c(c(C#N)c3nc4ccccc4n13)CCC2 45290 HOOKHJGYHQRANH-UHFFFAOYSA-N 276.343 2.914 30 50 CFEA C=CCOC(=O)/C(=C\c1ccccc1)NC(=O)c1ccco1 4756149 YOSCYISWIDFMEK-WYMLVPIESA-N 297.310 2.780 30 50 CFEA C=CCOc1ccc(C(=O)Nc2nnc(C)s2)cc1 4841974 ZUZPNZBTWLXION-UHFFFAOYSA-N 275.333 2.664 30 50 CFEA C=CCn1cc(CN[C@@H](CCC)c2nccn2C)c(C)n1 55196706 BQFRSQXNCRTOSD-HNNXBMFYSA-N 287.411 2.742 30 50 CFEA Cn1c(-c2ccc(C#CCCO)cc2)nc2ccccc21 55060778 DIMTYPCZBBBPQZ-UHFFFAOYSA-N 276.339 2.974 30 50 CFEA N#Cc1cnc(C2CC2)nc1N1CCC[C@@H]1[C@H]1CCCOC1 1875313075 GWOLGADHTNRWCQ-DZGCQCFKSA-N 298.390 2.621 30 50 CFEA C[C@@H]1C[C@@H](C)CN(CCCNc2ccc(C#N)nc2)C1 301540279 VGAQDACTVBFILO-ZIAGYGMSSA-N 272.396 2.733 30 50 CFEA CC1(C)OB(c2cccc(OC(F)(F)F)c2)OC1(C)C 169794288 BUSBFOTXIPZTDH-UHFFFAOYSA-N 288.074 2.884 30 50 CFEA in-vitro CC(C)[C@@H]1OCC[C@@H]1C(=O)N(CCC#N)Cc1ccco1 278110176 QZJJWJZWKDJGIK-GJZGRUSLSA-N 290.363 2.583 30 50 CFEA CC1(C)OB(c2conc2-c2ccccc2)OC1(C)C 208397442 RVOHHTJYALAKPP-UHFFFAOYSA-N 271.125 2.641 30 50 CFEA CC(C)(O)C#Cc1ccc(C(=O)NCc2ccccc2)s1 117187 QQZOVUBIXOICSB-UHFFFAOYSA-N 299.395 2.801 30 50 CFEA C=CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 2179327 QMSOAYURFALISI-UHFFFAOYSA-N 253.729 2.800 30 50 CFEA CCOc1cc(C#N)ccc1OCC(=O)Nc1ccccc1 6541113 YSXMLHGQINNLFM-UHFFFAOYSA-N 296.326 2.974 30 50 CFEA CN(C)/C=N/C(=S)Nc1cccc(C(F)(F)F)c1 4039096 NIJUAACVDABNQR-VIZOYTHASA-N 275.299 2.992 30 50 CFEA N#CCC1(CS(=O)(=O)N[C@H]2C[C@@H]2C2CCCCC2)CC1 253429170 MIAJIHZHJKRJGM-KGLIPLIRSA-N 296.436 2.568 30 50 CFEA CSc1nsc(N=C(O)N2CC[C@@H]3CCC[C@H]32)n1 330247283 LPQZHEIYBQGGRM-JGVFFNPUSA-N 284.410 2.680 30 50 CFEA O=C(/N=C1\SCC(=O)N1c1ccccc1)c1ccccc1 16713131 UBXWNTMAWNECPE-MSUUIHNZSA-N 296.351 2.963 30 50 CFEA Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/O)cc1 2976701 WIISXRJVRVHADW-XNTDXEJSSA-N 291.328 2.571 30 50 CFEA C=CCC1(C=O)CCN(C(=O)OC(C)(C)C)CC1 145409596 MZQDMBLLRIEPTM-UHFFFAOYSA-N 253.342 2.779 30 50 CFEA COc1ccc(/C=N/c2ccc3c(c2)n(C)c(=O)n3C)cc1 334163443 SGQJBLQHJUZLFT-WOJGMQOQSA-N 295.342 2.636 30 50 CFEA CC1(COc2cc(Br)ccc2C#N)COC1 232322019 ZJTWZFTTYNLFFD-UHFFFAOYSA-N 282.137 2.736 30 50 CFEA COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](C#N)C2)cc1 97711793 CNXONCBQPOBKBM-ZDUSSCGKSA-N 296.374 2.821 30 50 CFEA Cc1ccc(C#N)c(N2CCC[C@@H]2[C@@H]2CCCOC2)n1 1875305439 RDWKVPACFGZUBP-HUUCEWRRSA-N 271.364 2.657 30 50 CFEA C=C[C@@H]1OCC[C@H]1c1noc(C[C@@H]2CCC3(CCC3)O2)n1 1875320814 LYASCDNQTFLGCN-XQQFMLRXSA-N 290.363 2.772 30 50 CFEA C#CCCCCC(=O)O[C@@H](C)CC#Cc1cccnc1 888099577 REMVXXVBDOFJSX-HNNXBMFYSA-N 269.344 2.949 30 50 CFEA CCCOc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 211226773 BOOUILBRJDVKMS-UHFFFAOYSA-N 280.148 2.914 30 50 CFEA C=CCNCC[C@@H]1CCC(=O)N1Cc1ccccc1C 11881954 USMKVCQZPPRHAE-INIZCTEOSA-N 272.392 2.652 30 50 CFEA Cc1ccsc1/C=N/N1C(=O)c2ccccc2C1=O 3574408 SGXQBVHALGLXAW-OVCLIPMQSA-N 270.313 2.687 30 50 CFEA Cc1noc([C@@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)n1 332219460 VJMFXDGBCYADST-XHDPSFHLSA-N 282.347 2.800 30 50 CFEA COC(=O)[C@@]12CCC[C@]1(B1OC(C)(C)C(C)(C)O1)C2 1857778654 FXLTZIZLLAYRFV-KBPBESRZSA-N 266.146 2.566 30 50 CFEA CN1CCc2nc(S)c(C#N)c(-c3cccs3)c2C1 2475774 CMRUGDIVOLSBBJ-UHFFFAOYSA-N 287.413 2.958 30 50 CFEA COC(=O)c1ccc(COc2ccc(C#N)cc2)o1 549503 OKPUMERWJRCRRJ-UHFFFAOYSA-N 257.245 2.517 30 50 CFEA CCOC(=O)Cn1cc(C#N)c2cccc(CC)c21 618870 UONSJKJACXIUNS-UHFFFAOYSA-N 256.305 2.638 30 50 CFEA C=CC/N=C(/N/N=C/c1ccccc1OC)SC 2549851 BIDMDBAFFBIGAG-XNTDXEJSSA-N 263.366 2.524 30 50 CFEA C#Cc1cccc(N(Cc2ccncc2)C(=O)[C@@H](C)OC)c1 193553225 NEOUGVKRUPRUBM-CQSZACIVSA-N 294.354 2.631 30 50 CFEA Cc1ccc(C2CC(=O)C(=CN(C)C)C(=O)C2)s1 95117777 BPOLLZWYVLDMOH-UHFFFAOYSA-N 263.362 2.518 30 50 CFEA O=C1C=CC(=O)[C@@H]2[C@@H]1[C@H]1C[C@H]2C2=C1[C@H]1CC[C@H]2C12CC2 257357117 MCBYGSJBSIXZGL-XJECXYHGSA-N 266.340 2.693 30 50 CFEA C=CC(C)(C)C(=O)N[C@@H](C)Cn1cc(C(CC)CC)nn1 1875324048 ZONSLRNEMNYBAR-LBPRGKRZSA-N 292.427 2.899 30 50 CFEA CC#CC(=O)NCc1ccc(Oc2ccccc2)cn1 1643820852 IXSGQDLBIWBHNU-UHFFFAOYSA-N 266.300 2.513 30 50 CFEA C=CCNC[C@@H](O)Cn1c2ccccc2c2ccccc21 1775969930 SCOWNTKTXMCFAY-CQSZACIVSA-N 280.371 2.931 30 50 CFEA O=C(/C=C/c1ccccc1)c1ccc(S(=O)(=O)O)cc1 15768330 IKGFRRRIQSZYEP-IZZDOVSWSA-N 288.324 2.829 30 50 CFEA Cc1ccc(N2CCN(/N=C\c3ccco3)CC2)cc1 5009182 ADTRSMXQXJQVGZ-LGMDPLHJSA-N 269.348 2.744 30 50 CFEA CC1(C)CC(=O)C(=CNCc2cccs2)C(=O)C1 100379746 RYWDXYFRBMTSRD-UHFFFAOYSA-N 263.362 2.680 30 50 CFEA N#C[C@H](C(=O)Nc1ccccc1F)c1nc2ccccc2[nH]1 121871877 JGPKIGRSSHHUKR-JTQLQIEISA-N 294.289 2.948 30 50 CFEA Cc1cc(Nc2n[nH]c(/N=C/N(C)C)c2C#N)ccc1F 4025599 HHOBUBPHTQXHKI-CAOOACKPSA-N 286.314 2.694 30 50 CFEA C=C[C@@H]1OC[C@]2(COC(C)=O)[C@@H](C)[C@@H]1C(C)=C[C@H]2C 252694331 JBTQEJHRGJHHHA-MLEONAHRSA-N 264.365 2.969 30 50 CFEA biogenic N#C[C@H]1CCCN(C(=O)Nc2cccnc2Cl)C1 299769261 LEMMUIXRMIXVAM-SECBINFHSA-N 264.716 2.502 30 50 CFEA C#C[C@H](C)N(CC)Cc1nc(O)c2ccc(Cl)cc2n1 2325803682 VFMIYMOHVKBAOJ-JTQLQIEISA-N 289.766 2.832 30 50 CFEA N#CCCCSc1nnnn1-c1cccc(Cl)c1 2503595 ZILUYGXUDZKKQF-UHFFFAOYSA-N 279.756 2.712 30 50 CFEA C=CCc1cc(C)cc(C)c1OCCN1CCN(C)CC1 20652777 FJWOOJNIWJRENZ-UHFFFAOYSA-N 288.435 2.658 30 50 CFEA CCOC(=O)COc1ccc2c(C#N)c3ccccn3c2c1 1402612 LJABWLNFWOEELA-UHFFFAOYSA-N 294.310 2.906 30 50 CFEA N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C[C@@H]1CCOC1 329845874 YBJUSPRQEHWFDF-UAGQMJEPSA-N 298.386 2.711 30 50 CFEA C[C@@H]1C[C@@H]1CN/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1 328631004 QLBWGVGVJCWUDX-DTZQCDIJSA-N 288.391 2.924 30 50 CFEA N#Cc1ncccc1OC[C@@H]1CCN(c2ccccc2)C1 1616041069 JKQMBKNNWHGSOY-CQSZACIVSA-N 279.343 2.859 30 50 CFEA CN(C)c1cccc(C(=O)N2CCC[C@@](C)(C#N)C2)c1 215820067 IGJGZJQKVRDENH-INIZCTEOSA-N 271.364 2.518 30 50 CFEA Cc1ccc(Cn2cc(B3OC(C)(C)C(C)(C)O3)cn2)cc1 224559031 MFWKFBKAEAKCDG-UHFFFAOYSA-N 298.195 2.539 30 50 CFEA CCC1CCC(/N=C(/O)N(CC)CCCO)CC1 330935847 PIJWATJBJOPSFG-UHFFFAOYSA-N 256.390 2.574 30 50 CFEA C=CCNC(=O)[C@H](C)Oc1cccc(Br)c1 16580546 XKXBELPABPZYLL-VIFPVBQESA-N 284.153 2.519 30 50 CFEA Cc1nc([C@H]2CCCN(c3ccncc3C#N)C2)[nH]c1C 1775989265 IXCHCZATCJNHOS-ZDUSSCGKSA-N 281.363 2.677 30 50 CFEA O=C1C(=O)c2ccccc2/C1=C/c1ccccc1O 22782354 VBOXDEKMXCOGPO-LCYFTJDESA-N 250.253 2.698 30 50 CFEA Cn1cc([C@H]2OCC[C@@H]2/C(O)=N/[C@H]2C=CCCC2)cn1 328617054 CITAWRFELNTCGR-MELADBBJSA-N 275.352 2.563 30 50 CFEA CC(C)OC(=O)CSCc1ccc(C#N)cc1F 127648060 PNKFMRZEYSBKLM-UHFFFAOYSA-N 267.325 2.882 30 50 CFEA CCOC(=O)N1CC[C@](C#N)(Nc2ccccc2)[C@H](C)C1 196077454 XBAFUOWFJSCHEJ-CZUORRHYSA-N 287.363 2.859 30 50 CFEA O=C([C@@H]1CO1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 1875372390 FCJIOJMAPGZQOA-NEPJUHHUSA-N 285.265 2.768 30 50 CFEA C/N=C(/O)C1(C(O)=Nc2scnc2C2CC2)CC1 328911211 GFJPQGZGWIZYMD-UHFFFAOYSA-N 265.338 2.975 30 50 CFEA Cc1ccc(S(=O)(=O)/N=C(\O)c2ccccc2C)cc1 613022 LVGOSRSGAWSLMB-UHFFFAOYSA-N 289.356 2.997 30 50 CFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C 2300002 WXTZAKJDWNKEIG-SECBINFHSA-N 277.364 2.706 30 50 CFEA c1ccc(C/N=C2/NC[C@@H](C3CCCCC3)N2)cc1 1775998369 XLWDJRABEWJVFZ-HNNXBMFYSA-N 257.381 2.684 30 50 CFEA C=C[C@H](CO)NC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1 826588043 OKMQAGKQCOLBSY-CYBMUJFWSA-N 286.375 2.742 30 50 CFEA CN1CC[C@H]2[C@@H](CCCN2c2cccc(F)c2C#N)C1 269073293 ATNSTALBRQOFND-WFASDCNBSA-N 273.355 2.618 30 50 CFEA C/N=C(/O)CCCN1CCN(c2ccc(Cl)cc2)CC1 328596234 YCLMXLSIFMVIFX-UHFFFAOYSA-N 295.814 2.829 30 50 CFEA CCOc1ccc(C2=CC(=O)[C@H](CC(=O)O)CC2)cc1 238654 HCEVAZPOBPZMDS-ZDUSSCGKSA-N 274.316 2.923 30 50 CFEA C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc(F)c1 10339494 HFTGQWOCNDPRNF-PSLIRLAXSA-N 298.321 2.685 30 50 CFEA CS[C@@H]1CCC[C@H]1N(C)Cc1ccc(C#N)o1 110702351 JZUDRBBKHZWUQT-CHWSQXEVSA-N 250.367 2.867 30 50 CFEA CC#C/C(O)=N/CCCc1ccnc(C(C)(C)C)n1 330033179 XCTNVGNCLDRXLD-UHFFFAOYSA-N 259.353 2.687 30 50 CFEA Cc1cc(C)c(C#N)c(N2CC(c3ccncc3)C2)n1 71751240 GMFRMANGKOVFFR-UHFFFAOYSA-N 264.332 2.569 30 50 CFEA Cc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)nc1C 299051320 STHSBXSJFPXKBG-CQSZACIVSA-N 271.364 2.853 30 50 CFEA CN1C(=NCc2ccccc2)N(C)[C@@H]2CCCC[C@H]21 1775993740 JCHLIQREMIGGMF-HUUCEWRRSA-N 257.381 2.731 30 50 CFEA Cc1ccc(C(=O)NO)cc1NCc1ccccc1 1772641037 PZBARTUEWCQNSN-UHFFFAOYSA-N 256.305 2.726 30 50 CFEA Cc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)o1 12462482 VFAQKHZBOKAOSQ-LCYFTJDESA-N 253.257 2.933 30 50 CFEA CN(C)CC/N=C(\S)Nc1cccc(Cl)c1 8829839 OWAJMROHTFWTPH-UHFFFAOYSA-N 257.790 2.599 30 50 CFEA N#Cc1cc2c(nc1NC(=O)c1cncc(F)c1)CCCC2 122082167 CUELRDSJXBRJLV-UHFFFAOYSA-N 296.305 2.618 30 50 CFEA O=C(NOC(=O)c1ccccc1)OCc1ccccc1 85999740 DZXKFXUDQWSZRA-UHFFFAOYSA-N 271.272 2.685 30 50 CFEA Cc1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12 222206474 GUIGAQOADQFRFR-UHFFFAOYSA-N 269.153 2.842 30 50 CFEA Cc1ccc(-c2nnc(S)n2N=Cc2ccncc2)cc1 252429322 CJDBJWUUXGTMRT-UHFFFAOYSA-N 295.371 2.819 30 50 CFEA Fc1ccccc1-c1nnc(S)n1/N=C/c1ccco1 5998635 SZSAYUAWHIKKHR-OVCLIPMQSA-N 288.307 2.848 30 50 CFEA C[C@@H]1N=C(O)CC[C@H]1/N=C(/O)c1cccnc1C1CC1 328648317 AILRDXKXZKUVIQ-JOYOIKCWSA-N 273.336 2.771 30 50 CFEA CC#CC(=O)NC1([C@H]2CCCc3ccccc32)CC1 1875367770 LHZIUQHKIBDDHU-HNNXBMFYSA-N 253.345 2.779 30 50 CFEA C#CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1 6743235 KPTAXYRPCWENJP-UHFFFAOYSA-N 283.302 2.768 30 50 CFEA C=CCNc1ccccc1C(=O)N1CCC[C@H]1COC 55211901 QOEHBLHHETYLEJ-ZDUSSCGKSA-N 274.364 2.536 30 50 CFEA N#Cc1c(NC(=O)c2ccccc2)oc2cccnc12 4052779 DZCJCWQZGSWBCT-UHFFFAOYSA-N 263.256 2.952 30 50 CFEA CCC#CCN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1)C2 248261969 MUPUFUSTFHIPFN-WMZOPIPTSA-N 296.414 2.636 30 50 CFEA C[C@H]1CN(c2ccc(C#N)c(N)n2)Cc2ccccc21 848642824 KZSPOQBALRQATP-NSHDSACASA-N 264.332 2.659 30 50 CFEA C=C(C)[C@@H]1Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C1 507711 SKSMAIWXKKFOMN-CYBMUJFWSA-N 268.364 2.878 30 50 CFEA CO[C@H](C)c1nnc(Nc2ccc(F)c(C#N)c2)s1 2356157894 WJUNSQUSCGYUJN-SSDOTTSWSA-N 278.312 3.000 30 50 CFEA C=CCOc1cccc(C(=O)NCc2cccnc2)c1 4842065 LBQVAZSVJKITEG-UHFFFAOYSA-N 268.316 2.576 30 50 CFEA C=CCOc1ccc2ccccc2c1CNCCCO 6313010 QXYXIVKEIZRWLC-UHFFFAOYSA-N 271.360 2.877 30 50 CFEA CC(NCc1ccncc1)=C1C(=O)c2ccccc2C1=O 100570309 TYTWQBMXXHOMOR-UHFFFAOYSA-N 278.311 2.524 30 50 CFEA C=CCN(Cc1ncc[nH]1)Cc1ccccc1OC 55134361 VVGBYICMPUNRDQ-UHFFFAOYSA-N 257.337 2.607 30 50 CFEA COc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 307482625 ZCWOKWCBYZCXPV-UHFFFAOYSA-N 268.549 2.648 30 50 CFEA Cc1c(Cl)cnc(N2CCC[C@H](N(C)C)CC2)c1C#N 253431406 GZDXIVGGFRVSNA-LBPRGKRZSA-N 292.814 2.836 30 50 CFEA Cc1cccc(C[C@H](C)NC(=O)c2ccccc2C#N)n1 223029361 CBYOXCKZFBYHIU-ZDUSSCGKSA-N 279.343 2.623 30 50 CFEA CC[C@H](C#N)C(=O)N[C@H]1c2ccccc2CC[C@@H]1C 585090464 PKGVCTGVFZCJGV-YWPYICTPSA-N 256.349 2.976 30 50 CFEA CC[C@H](C#N)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C 585090465 PKGVCTGVFZCJGV-ZOWXZIJZSA-N 256.349 2.976 30 50 CFEA C/N=C(/O)NC1CC(c2ccc(F)c(Cl)c2)C1 328587045 HRQZTGUIBYPIMO-UHFFFAOYSA-N 256.708 2.859 30 50 CFEA Cc1ccc(-n2nccc2B2OC(C)(C)C(C)(C)O2)c(C)c1 958749331 JLGDCNALOFFWQA-UHFFFAOYSA-N 298.195 2.788 30 50 CFEA N#Cc1cn(CC(=O)NCc2ccccc2)c2ccccc12 29024 BRHATXQMGBFITR-UHFFFAOYSA-N 289.338 2.829 30 50 CFEA Cc1cccc(OCC(=O)Nc2ccccc2C#N)c1 584310 MIEBGDWNHBDFPJ-UHFFFAOYSA-N 266.300 2.884 30 50 CFEA C=CCNc1oc(-c2ccc(OC)c(OC)c2)nc1C#N 2865639 JZJRNRSLDLVBMD-UHFFFAOYSA-N 285.303 2.828 30 50 CFEA CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccccc1O 100430693 ISARRSHHZPBZFI-SDXDJHTJSA-N 294.314 2.583 30 50 CFEA Oc1ccccc1/C=N/[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 124144859 OOYCAKQTKVZJBL-GOUXZDJPSA-N 257.333 2.769 30 50 CFEA CN(C)/C=C/C(=O)c1cccc(Oc2ncccn2)c1 1402045 BHMKBYVPVJQOMT-JXMROGBWSA-N 269.304 2.527 30 50 CFEA C=C(c1ccccc1)[C@@H](CO)NC(=O)OC(C)(C)C 213001281 FRCMXAPYVHJEOY-CYBMUJFWSA-N 263.337 2.585 30 50 CFEA CC#CC(=O)N[C@H]1CCCc2c(F)cc(Cl)cc21 1875365871 NCIYWHNLCWDZAU-ZDUSSCGKSA-N 265.715 2.996 30 50 CFEA Cc1cc(OC(F)F)ccc1B1OC(C)(C)C(C)(C)O1 216015815 KVKYJRCUZURQLR-UHFFFAOYSA-N 284.111 2.896 30 50 CFEA Cn1cc(OCc2cc(C#N)ccc2Br)cn1 193529709 IBFYXOUSZNRDBP-UHFFFAOYSA-N 292.136 2.633 30 50 CFEA N#CC1(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)CCC1 598303995 DPJGCXCIPFXDGZ-ZIAGYGMSSA-N 254.333 2.743 30 50 CFEA C=CCN(Cc1cccc(OC)c1)[C@H](CC)C(=O)O 1529095739 VQQFFHWJTLJRCY-CQSZACIVSA-N 263.337 2.546 30 50 CFEA CC(C)CC(=O)/N=C(/N)Nc1nc2ccccc2s1 13750758 QEZKNEHWQLCNBC-UHFFFAOYSA-N 276.365 2.596 30 50 CFEA CC1(C)OB(c2cnn(C3CCCCC3)c2)OC1(C)C 169746048 WCTWBVYTYXBCRR-UHFFFAOYSA-N 276.189 2.688 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)[C@H](C)OCC1CC1 328615784 ZGWPNKOJZXYTMM-IACUBPJLSA-N 269.385 2.819 30 50 CFEA CC(C)c1noc([C@@H](C)NC(=O)c2cccc(C#N)c2)n1 67675884 BHTCPJBMVASCFY-SNVBAGLBSA-N 284.319 2.556 30 50 CFEA C=C(C)CNC(=O)N[C@H](c1ccn(C)c1)C(F)(F)F 170601517 TUPBHKJJSCPKAP-SNVBAGLBSA-N 275.274 2.504 30 50 CFEA N#CCCN1C(=O)S/C(=C/c2ccccc2)C1=O 5733255 ROMFZBBIJSONPM-PKNBQFBNSA-N 258.302 2.637 30 50 CFEA C(=N/Nc1nncn1/N=C/c1ccccc1)\c1ccccc1 16451000 UDHCLLRXVBYLBT-UCXDMDGBSA-N 290.330 2.606 30 50 CFEA C[C@H](N[C@H](C)c1nccn1C)c1cccc(C#N)c1 611393330 CJIBBABWDSAKIO-NWDGAFQWSA-N 254.337 2.704 30 50 CFEA Nc1ncccc1/C=N/Nc1cnc2ccccc2c1 2325809645 TYOVHXLLIHSCPN-DJKKODMXSA-N 263.304 2.658 30 50 CFEA N#Cc1c(N)c(C(=O)c2ccc(Cl)cc2)n2c1CCC2 494534 LTVGSHXJQJIDCR-UHFFFAOYSA-N 285.734 2.773 30 50 CFEA COc1ccc(NC(=O)O/N=C\c2ccncc2)cc1 4997274 MHWKDLPEICHPQL-YBEGLDIGSA-N 271.276 2.673 30 50 CFEA N#Cc1ccc(N2CCC[C@@H](Oc3ncccc3F)C2)cn1 253429507 HKYMYAWABYRFMY-CQSZACIVSA-N 298.321 2.535 30 50 CFEA CC1(C)OC[C@H](C[C@]23CCC(=O)C=C2CCCCC3=O)O1 71786785 GEGLTEBNTFWANE-WMLDXEAASA-N 292.375 2.947 30 50 CFEA N#Cc1cccc(C2(NC(=O)c3ocnc3C3CC3)CC2)c1 288751741 NJWWMCMMDGSJML-UHFFFAOYSA-N 293.326 2.843 30 50 CFEA CN(C)C(=O)c1ccc(-c2ccc(C#N)cc2)cc1 85477029 MAQLYTIJGJEEQA-UHFFFAOYSA-N 250.301 2.927 30 50 CFEA in-vitro CC#CC(=O)N[C@@H]1C[C@H]1Cc1ccc(C(F)(F)F)cc1 408515925 QNSWBXJITLWTGQ-DGCLKSJQSA-N 281.277 2.776 30 50 CFEA N#C[C@H](CC1CC1)C(=O)N1CCO[C@@H](c2cccs2)C1 170080069 XMNNHYJREATXDS-QWHCGFSZSA-N 290.388 2.588 30 50 CFEA Cn1cc(-c2ccc(CN3CCCCC3)cc2)c(C#N)n1 952882595 SSXFLEWUQKODNA-UHFFFAOYSA-N 280.375 2.945 30 50 CFEA C=CCOc1ccc2ccccc2c1CNC[C@@H](C)O 6587262 WSKZSRTZTYESPP-CYBMUJFWSA-N 271.360 2.875 30 50 CFEA CC(C)(C)OC(=O)N1CC(B2OC(C)(C)C(C)(C)O2)C1 306373715 OGIREDKIFYTFOQ-UHFFFAOYSA-N 283.177 2.700 30 50 CFEA N#Cc1cccc(-c2nc3ccc(C(=O)O)cc3[nH]2)c1 37400904 WSQUBEXNKYBRJM-UHFFFAOYSA-N 263.256 2.800 30 50 CFEA N#Cc1cccc(-c2ccc(N3CCSCC3)nn2)c1 97631999 NORVPZOFERVMGH-UHFFFAOYSA-N 282.372 2.568 30 50 CFEA C[C@@H](NC(=O)[C@@H]1CO1)c1cc(Cl)ccc1Cl 1875372875 ONAAYNSYQHNAGZ-LDWIPMOCSA-N 260.120 2.569 30 50 CFEA CSC(C)(C)CN[C@@H](C)CC1(C#N)CCOCC1 585117516 IYJMELOGBIGYRO-LBPRGKRZSA-N 270.442 2.817 30 50 CFEA C=C(C)C[C@H](C)C(=O)N[C@H](C)c1cc2n(n1)CCCC2 585126763 HTZCAGLDHAOWBL-QWHCGFSZSA-N 275.396 2.999 30 50 CFEA COc1cc(OC)cc(C(=O)Nc2cccc(C#N)c2)c1 451748 PMHKYKLEVBKMJU-UHFFFAOYSA-N 282.299 2.828 30 50 CFEA C=C(C)COc1cccc(NC(=O)N[C@H]2CCOC2)c1 178678352 FQJZBYLKMWIDOF-ZDUSSCGKSA-N 276.336 2.552 30 50 CFEA C[C@@H]1C[C@H]1CN/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1 328631003 QLBWGVGVJCWUDX-DMRZNYOFSA-N 288.391 2.924 30 50 CFEA CCOc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 216705861 QILTUOMFSGYGFI-UHFFFAOYSA-N 266.121 2.524 30 50 CFEA CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3)O[C@H]2C1 242543500 KCNPMWOOFGBZDW-XJKSGUPXSA-N 275.348 2.922 30 50 CFEA N#Cc1ccc(NCC(=O)NC2(C(F)(F)F)CCC2)cc1 585125646 AAHCZYIVTDAEGZ-UHFFFAOYSA-N 297.280 2.571 30 50 CFEA CC(C)(C)OC(=O)N1CCC(C(C)(C)C=O)CC1 226291774 RUDVNPDWGAFFAX-UHFFFAOYSA-N 255.358 2.859 30 50 CFEA C=C[C@H](C)NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 222321049 UXBMMDROZFBOSN-NWANDNLSSA-N 274.364 2.780 30 50 CFEA Cc1ccc(C#N)c(N2CCOc3cccc(F)c3C2)n1 374583324 HBKBIRDKFFSXKK-UHFFFAOYSA-N 283.306 2.800 30 50 CFEA C=C(C)CN(Cc1ccccc1)C(=O)CCCn1cncn1 585079682 ULWQISPCAYRRTC-UHFFFAOYSA-N 298.390 2.663 30 50 CFEA CC#CC(=O)N(C)[C@@H](CCc1ccccc1)C(F)F 863729645 JWWINMGNAOSRDD-ZDUSSCGKSA-N 265.303 2.735 30 50 CFEA N#Cc1ccc(Br)nc1N1C[C@H]2CCC[C@@H]2C1 952883286 KSSLTLYEAFDSPA-GHMZBOCLSA-N 292.180 2.952 30 50 CFEA C#CCCC1(CCC(=O)N2C[C@@H](C)OC3(CCC3)C2)N=N1 952883211 SBWNIBKWYDVIAU-CYBMUJFWSA-N 289.379 2.512 30 50 CFEA COc1cc([C@@H](C#N)N2N=C(C)CC2(C)C)ccc1O 34908 PEHAWCRXRUFMGE-GFCCVEGCSA-N 273.336 2.826 30 50 CFEA C[C@@H]1CCCCN1c1cc(C#N)c(C#N)cc1[N+](=O)[O-] 4629388 BYPVUTGUUDJEGG-SNVBAGLBSA-N 270.292 2.717 30 50 CFEA N#Cc1c(NCC2(C(F)F)CC3(CCC3)C2)cc[nH]c1=N 2325792761 KWJGHZLYAJORKQ-UHFFFAOYSA-N 292.333 2.993 30 50 CFEA C=CC(=O)N1CCCC[C@@H]1[C@H](C#N)c1ccccc1 2325884442 WWOONGZCJCPBBF-HUUCEWRRSA-N 254.333 2.861 30 50 CFEA N#Cc1ccc(Oc2cccc(C(=O)O)c2)cc1C#N 453382 FLZUFWXMMZUPKP-UHFFFAOYSA-N 264.240 2.920 30 50 CFEA CN(C)/C=C/C=C/C1=CC(=O)/C(=C/C=C/N(C)C)CC1 55484104 MJXNHAUSRCQYNC-ZHBHOLCMSA-N 272.392 2.909 30 50 CFEA CC1(C)CC(=O)C2=C(C1)NC(C(=O)O)=C[C@H]2c1ccccc1 100161749 SCDNFSRISGJXPH-LBPRGKRZSA-N 297.354 2.985 30 50 CFEA C=C(C)[C@@H]1OCC[C@H]1C/N=C(/O)c1ccc(O)cc1F 331232590 JNPZCYVFRFSIQZ-HZMBPMFUSA-N 279.311 2.817 30 50 CFEA CC(=O)COc1ccc2c(c1)O/C(=C/c1cccn1C)C2=O 218081096 XZQXIRPJUKBWDO-LZYBPNLTSA-N 297.310 2.609 30 50 CFEA biogenic C=C(Cl)C[C@H](CO)OCc1ccc(OC)cc1 43199212 ATJJMGHUFKMBOZ-CYBMUJFWSA-N 256.729 2.715 30 50 CFEA CC#CC(=O)N(CC)[C@H](Cc1ccccc1)[C@H]1CCCO1 1875370280 ISGSTIOQDDYOFT-IAGOWNOFSA-N 285.387 2.649 30 50 CFEA CCc1ccccc1-n1nccc1B1OC(C)(C)C(C)(C)O1 958749173 DYXUFLOKPHUMCJ-UHFFFAOYSA-N 298.195 2.734 30 50 CFEA C=CCN(CC=C)[C@@H](C(=O)O)c1ccc(F)c(C)c1 55099605 QIUPMJVGQQRWKB-CQSZACIVSA-N 263.312 2.934 30 50 CFEA O=C1C=CC(=O)C(c2ccc(Br)cc2)=C1 197044 DCXJTWHQLXIVPH-UHFFFAOYSA-N 263.090 2.541 30 50 CFEA Cc1c(CNC(=O)C2(C#N)CC2)noc1-c1ccccc1 2325813176 SZXHSOVEIHPYKR-UHFFFAOYSA-N 281.315 2.570 30 50 CFEA CC1=NO[C@@H](/C(O)=N/C2(c3cccc(C#N)c3)CC2)C1 328596933 BQDTXBJKOAFZFM-CYBMUJFWSA-N 269.304 2.669 30 50 CFEA N#CC1(C(=O)N2CC[C@H](Cc3ccncc3)C2)CCCCC1 374676171 GSZKGVXXTCZJPC-MRXNPFEDSA-N 297.402 2.947 30 50 CFEA O=C1C=C(Cl)C(=O)C(Cl)=C1Cc1ccccc1 142523216 KWOVGZRCZAFZSQ-UHFFFAOYSA-N 267.111 2.997 30 50 CFEA CC(C)(O)C#Cc1ccc(C(=O)NC2CCCCCC2)o1 828166426 HBZRXZXYVHZMDW-UHFFFAOYSA-N 289.375 2.855 30 50 CFEA CC1(C)OB(c2cccc(Br)c2)OC1(C)C 169747750 FHCWGLQDAMYXJS-UHFFFAOYSA-N 282.974 2.748 30 50 CFEA in-vitro CCc1noc(NC(=O)c2ccccc2C#N)c1C 1529179952 ADCNJWSGBJGNDL-UHFFFAOYSA-N 255.277 2.669 30 50 CFEA C=CCc1cc(C(=O)NCc2cccnc2)ccc1OC 14397933 PILMSSOFVDCMMY-UHFFFAOYSA-N 282.343 2.749 30 50 CFEA O=[N+]([O-])c1ccc(COc2ccc(/C=N/O)cc2)cc1 6926346 UUGVPWMFZZWHIR-OQLLNIDSSA-N 272.260 2.982 30 50 CFEA C=CCNc1ncnc2ccc(Br)cc12 1766166 BCPOLXUSCUFDGE-UHFFFAOYSA-N 264.126 2.990 30 50 CFEA in-vitro CC[C@H](C#C[C@](C)(O)CCC=C(C)C)OC(C)=O 3882081 JRIMDRYHZVUHQU-HUUCEWRRSA-N 252.354 2.829 30 50 CFEA CCOC(=O)[C@](C#N)(CC)[C@](C)(C#N)c1ccccc1 44124988 KHMZDXPHUGUPOD-HZPDHXFCSA-N 270.332 2.951 30 50 CFEA C=CCSc1nc2ccccc2n1CCC(=O)O 195796519 OMGOPBGIFRYYEO-UHFFFAOYSA-N 262.334 2.789 30 50 CFEA CCC[C@@H](C(=O)N1CCC(C)(C#N)CC1)n1cccc1 584901647 IWILFMHAGAVLJK-AWEZNQCLSA-N 273.380 2.982 30 50 CFEA CC1(C)OB(CC2CC3(CCNCC3)C2)OC1(C)C 1536221821 INEQCSNLZIEDGQ-UHFFFAOYSA-N 265.206 2.858 30 50 CFEA C=CCCOc1cccc(B2OC(C)(C)C(C)(C)O2)c1 211233067 MWKNYGLJZZOTPL-UHFFFAOYSA-N 274.169 2.941 30 50 CFEA CC(C)[C@H](NCc1ccc(C#N)cc1)[C@H](O)C(F)(F)F 585081061 SMNPJYSAAICXIM-STQMWFEESA-N 286.297 2.596 30 50 CFEA CCN(CC)c1n[nH]c(NCc2ccoc2C)c1C#N 585118646 XFJXFXAAGYHSSK-UHFFFAOYSA-N 273.340 2.641 30 50 CFEA COc1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 196134490 HEJDFXCWVYENEY-UHFFFAOYSA-N 268.549 2.648 30 50 CFEA CC1(C)OB(c2cc(O)cc3ccccc23)OC1(C)C 426357404 UFUZDGJITBGLLK-UHFFFAOYSA-N 270.137 2.845 30 50 CFEA CC[C@@H]1CCc2c(sc(NC(=O)CN(C)C)c2C#N)C1 6731006 CKPFLOHZIXYVJN-SNVBAGLBSA-N 291.420 2.635 30 50 CFEA C=CCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 20102785 QFPISYXNVZRIPI-UHFFFAOYSA-N 292.810 2.854 30 50 CFEA CC(C)Cc1cc(C(=O)NC2(C#N)CCCCC2)n(C)n1 65380291 RXZHLXPSNQLPNT-UHFFFAOYSA-N 288.395 2.575 30 50 CFEA Cc1c(C)c(B2OC(C)(C)C(C)(C)O2)c(C)c(C)c1N 170003501 SDHNOKBKYKWRHF-UHFFFAOYSA-N 275.201 2.802 30 50 CFEA CCCCCCC[C@@H]1NC(=O)NC(C)=C1C(=O)OCC 33355599 OEHIPDDJVBGKTR-LBPRGKRZSA-N 282.384 2.865 30 50 CFEA C[C@H]1CN(C)Cc2c1nc(N)c(C#N)c2-c1cccs1 72121963 TXEXOTVQMGUEOQ-VIFPVBQESA-N 284.388 2.813 30 50 CFEA CSc1ccc(B2OC(C)(C)C(C)(C)O2)s1 199596289 ADUWWMSFVTWLQY-UHFFFAOYSA-N 256.201 2.769 30 50 CFEA COc1cccc(OCCCc2cc(C#N)ccn2)c1 91769385 ORWRTNZIMDWDBM-UHFFFAOYSA-N 268.316 2.973 30 50 CFEA CN(C)C(=NC[C@@H](c1ccccc1)C(F)(F)F)N(C)C 185954143 GVXAJVSOIPKCBL-LBPRGKRZSA-N 287.329 2.812 30 50 CFEA CC[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccc(C#N)cc1 277210894 KIUBWJGFLVRDEY-HOTGVXAUSA-N 286.375 2.722 30 50 CFEA C=CCNCC[C@@H]1CCC(=O)N1Cc1ccc(C)c(F)c1 14881026 HGVRPUMLRGTNJB-HNNXBMFYSA-N 290.382 2.791 30 50 CFEA N#Cc1cc(/C(O)=N/C[C@H]2CCO[C@@H]2c2ccccc2)c[nH]1 328611907 NCFANEPGNARDRW-CZUORRHYSA-N 295.342 2.969 30 50 CFEA C=CCN(CC=C)CCOCCOc1ccccc1 3462270 GIUDYFFIGNUFFO-UHFFFAOYSA-N 261.365 2.756 30 50 CFEA C#CCCC1(CCC(=O)N2CCCC(F)(F)CC2)N=N1 952882210 SODOOHCXDXSOBO-UHFFFAOYSA-N 283.322 2.990 30 50 CFEA CC1(C)CC(=O)CC(C)(C)N1OC(=O)c1ccco1 36867 UOASRZMFLROQBL-UHFFFAOYSA-N 265.309 2.574 30 50 CFEA C[C@@H]1C[C@H]1NC1CCC(C#N)(c2ccccn2)CC1 2325853315 LITWYBAIEWXVRT-ILTLLKDXSA-N 255.365 2.784 30 50 CFEA CC1(C)OB(c2cc3occc3cc2F)OC1(C)C 217521166 OOUHXMQEKDTEOA-UHFFFAOYSA-N 262.089 2.871 30 50 CFEA Cc1ccc2cccnc2c1B1OC(C)(C)C(C)(C)O1 334163752 AYIFQLQWBWFLFP-UHFFFAOYSA-N 269.153 2.842 30 50 CFEA C[C@@H]1CC2(CCN(C(=O)c3ccccc3C#N)CC2)CO1 1857691464 MLJBZTBBORUWBQ-CYBMUJFWSA-N 284.359 2.589 30 50 CFEA O/C(=N/CCn1cnnc1C1CC1)[C@@H]1CC12CCCC2 329997284 QGDYELZVGNGVCS-LBPRGKRZSA-N 274.368 2.692 30 50 CFEA O=S1(=O)OC(c2ccccc2)=C(c2ccccc2)O1 3122881 NNZNQBKWAUJVOQ-UHFFFAOYSA-N 274.297 2.804 30 50 CFEA C#CC(C)(C)NC(=O)c1cc(C)nc2c(C)cccc12 55284578 LRQXWRVZWQJUBB-UHFFFAOYSA-N 266.344 2.993 30 50 CFEA CCSc1ncc(/C=N/Nc2ccccc2)n1C 4002358 KDANUBQYZCPYAK-XNTDXEJSSA-N 260.366 2.978 30 50 CFEA C=CC[C@]1(C(=O)O)CCCN(Cc2ccc(C)o2)C1 91475949 IHEOREFNZTZMIM-HNNXBMFYSA-N 263.337 2.831 30 50 CFEA CCC#CCN1CCC[C@@H](CNC(=O)CC2CCCC2)C1 952975091 RROCNQKGIYOTBW-KRWDZBQOSA-N 290.451 2.808 30 50 CFEA C#CCCC1(CCC(=O)NC[C@H]2CCc3cccnc32)N=N1 888096503 YPYQQLCXCONVCG-CQSZACIVSA-N 296.374 2.583 30 50 CFEA CC(C)(C)OC(=O)N1CC[C@]2(C=O)CCCC[C@@H]12 1535644947 DENLNXDFUBLANB-RISCZKNCSA-N 253.342 2.755 30 50 CFEA CC#CC(=O)N(CCC)[C@@H]1CCc2ccccc2C1 277357603 FPIHFYFSEBOGBU-MRXNPFEDSA-N 255.361 2.806 30 50 CFEA O=C(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F 113538638 VDLHKDQLOUOMTC-UHFFFAOYSA-N 290.106 2.940 30 50 CFEA Cc1ccc(N[C@]2(C#N)C(=O)Nc3ccccc32)cc1 445732 LOQUXPIMUMSWFA-INIZCTEOSA-N 263.300 2.778 30 50 CFEA N#Cc1cccnc1N1CC=C(c2ccccc2F)C1 328587004 OXDYGFBLXZOWRE-UHFFFAOYSA-N 265.291 2.996 30 50 CFEA CC(C)(C)OC(=O)N1[C@H](C=O)C[C@@H]2CCCC[C@@H]21 142059989 MTIKMGKDLPPBEQ-SRVKXCTJSA-N 253.342 2.754 30 50 CFEA BrC(=C\c1ccccc1)/C=N/n1cnnc1 135922 ZXCWSHQQPVKZDQ-UGXGCEEVSA-N 277.125 2.548 30 50 CFEA C#CCCC1(CCC(=O)Nc2cc(C)c3nccn3c2)N=N1 952881596 OLQBREBVUKQGKT-UHFFFAOYSA-N 295.346 2.937 30 50 CFEA O=[N+]([O-])c1ccc([C@H](O)C/N=C\c2ccccc2)cc1 104233473 NLDGGWWLCBWADD-CCAPLTMGSA-N 270.288 2.747 30 50 CFEA Cc1ccc([C@H]2CC(=O)C=C(NCCc3c[nH]cn3)C2)cc1 100432834 PUGWJFGNAITZNI-OAHLLOKOSA-N 295.386 2.881 30 50 CFEA CC(=O)NC1=C(NCc2ccccc2)CC(C)(C)CC1=O 101469461 GJYMJVNWEMEWTI-UHFFFAOYSA-N 286.375 2.513 30 50 CFEA C=CCOc1ccc(OCCN2C[C@@H](C)O[C@H](C)C2)cc1 20639797 IMQQVRLNIVVRFU-HUUCEWRRSA-N 291.391 2.739 30 50 CFEA C#CCN1CC[C@](OC(=O)CC)(c2ccccc2)[C@@H]1C 216002434 KLGHDMOBCKWGTK-WMLDXEAASA-N 271.360 2.563 30 50 CFEA C#Cc1ccc(CNCc2ccccc2OCCOC)cc1 289340295 VZXQYPLVYOUSNW-UHFFFAOYSA-N 295.382 2.983 30 50 CFEA Cc1n[nH]c(NC(=O)c2cc3cccnc3cc2F)c1C#N 1875344635 NWBJXSWPJZULDT-UHFFFAOYSA-N 295.277 2.529 30 50 CFEA Cc1c(C(=O)N2CC(CC#N)C2)cnn1C1CCCCC1 598029939 IXFJOSBLPJHIFJ-UHFFFAOYSA-N 286.379 2.682 30 50 CFEA N/C(=N\OC(=O)c1cccc2ccccc12)c1cccnc1 18093491 DMIGWJKURWQCJA-UHFFFAOYSA-N 291.310 2.712 30 50 CFEA CCOC(=O)[C@@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 169745235 ZREZDODZGZVRBD-LLVKDONJSA-N 280.173 2.907 30 50 CFEA C(=N/N1CCN(Cc2ccccc2)CC1)\c1ccccc1 19372221 UOBZLUUOGDBSRF-XDJHFCHBSA-N 279.387 2.838 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 585127866 LHGWBFZJFHJBGY-JSGCOSHPSA-N 288.395 2.531 30 50 CFEA Fc1ccc(/C=N/n2c(S)nnc2-c2ccccn2)cc1 9332727 FXCOXIRFHFVIKA-RQZCQDPDSA-N 299.334 2.650 30 50 CFEA N#Cc1ccc(C(=O)NC[C@H]2[C@H]3c4ccccc4CC[C@H]32)[nH]1 151724641 RGDLECFYKSJBIO-UXLLHSPISA-N 291.354 2.592 30 50 CFEA Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)C[C@@H]2C=CCC2)cn1 328625011 KGARTSYEUVZAKG-IVMMDQJWSA-N 289.379 2.953 30 50 CFEA Cc1nccc(N/C(O)=N/C[C@H]2CCO[C@@H]2C(C)(C)C)n1 328625071 KJQBOPFLFHOLNV-YPMHNXCESA-N 292.383 2.562 30 50 CFEA C=CC[C@@]1(C(=O)OC)CCCN(C(=O)OC(C)(C)C)C1 90735422 GGRLBVMLDQSJRR-OAHLLOKOSA-N 283.368 2.753 30 50 CFEA in-vitro Sc1nnc(-c2ccco2)n1/N=C/c1cccs1 1295513 ZUMZEKCPICIONL-KPKJPENVSA-N 276.346 2.771 30 50 CFEA CCCCCCCCNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 232976612 RKZPKXHTMXUNHG-ZQDZILKHSA-N 293.407 2.986 30 50 CFEA C[C@@]1(Br)C[C@H]1C(=O)NCC1(C#N)CCCCC1 862209352 SVKYZKSYVFGGML-CMPLNLGQSA-N 299.212 2.750 30 50 CFEA O=[N+](C(F)(F)F)C(F)(F)C(F)(F)N(O)C(F)(F)F 334160151 FYPULWDBOIHCFV-UHFFFAOYSA-N 299.044 2.682 30 50 CFEA Cc1ncncc1COC(=O)[C@@H](C)c1ccc(C#N)cc1 1875269869 PCERJRUTHXADHM-NSHDSACASA-N 281.315 2.504 30 50 CFEA CC#CC(=O)NC1([C@@H]2CCCc3ccccc32)CC1 1875367771 LHZIUQHKIBDDHU-OAHLLOKOSA-N 253.345 2.779 30 50 CFEA CCOc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1 211819475 UUKKMOVNYUZWJD-UHFFFAOYSA-N 266.121 2.524 30 50 CFEA in-vitro C=CCN[C@@H](C)c1ccc(-n2cncn2)cc1Cl 225475898 CPVOHIPRPAQPSR-JTQLQIEISA-N 262.744 2.757 30 50 CFEA O=C(/C=C\c1ccccc1)NCC#Cc1ccccc1 15922349 GHEORJVKDALSEC-YPKPFQOOSA-N 261.324 2.868 30 50 CFEA CC1(C)OB(c2ccccc2C(F)F)OC1(C)C 169807416 YUYOJSXBLFWGPR-UHFFFAOYSA-N 254.085 2.923 30 50 CFEA CCN(CC)CCCNc1nc(C)cc(COC)c1C#N 4593965 UZEWKCCRRLSPDD-UHFFFAOYSA-N 290.411 2.552 30 50 CFEA CC(C)=NOC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 4583098 UDKQRRBFMHQQSS-UHFFFAOYSA-N 251.242 2.848 30 50 CFEA N#C[C@H](C(=O)CN1CCCCCC1)c1ccccc1 4866143 YHCMXAUXHBPMML-HNNXBMFYSA-N 256.349 2.739 30 50 CFEA CC(C)c1ccc(N/C(S)=N\N2CCOCC2)cc1 8682781 ACSMDFKMLCVLFH-UHFFFAOYSA-N 279.409 2.755 30 50 CFEA C=C(C)COc1cccc(CN[C@H](C)c2nc[nH]n2)c1 55225353 QMQUASFUOFZKOC-GFCCVEGCSA-N 272.352 2.610 30 50 CFEA CC(C)(C#N)c1ccc(CN2CC(n3cccn3)C2)cc1 614167305 LCNZCDFANFROTK-UHFFFAOYSA-N 280.375 2.741 30 50 CFEA CC(C)c1ccc(C#N)c(NCCN2CCCCC2=O)n1 826786564 PBGOVMQRPYSPAW-UHFFFAOYSA-N 286.379 2.501 30 50 CFEA CCOCc1ccc(Nc2cc(C#N)ncn2)cc1 575859948 SRKLOFCCSPILPA-UHFFFAOYSA-N 254.293 2.628 30 50 CFEA Cc1cscc1/C(O)=N/C[C@H]1CCn2ccnc2C1 328624157 JTGKUWYIIXDCMX-NSHDSACASA-N 275.377 2.820 30 50 CFEA Oc1cccc(/C=N/N2CCN(Cc3ccccc3)CC2)c1 19771323 SREMFPMVDNDRHG-XMHGGMMESA-N 295.386 2.544 30 50 CFEA CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)CCC3)c1 4488872 IHCLCIMNIZWVAA-CYBMUJFWSA-N 285.343 2.696 30 50 CFEA C=C(C)C(=O)OCCCCOc1ccc(C(=O)O)cc1 2381146 KJWAXBUYXXCQOC-UHFFFAOYSA-N 278.304 2.663 30 50 CFEA O/C(=N/[C@@H]1CCc2c[nH]nc2C1)[C@@H]1CCOc2ccccc21 329844589 LIXYAGLIUAGOIL-TZMCWYRMSA-N 297.358 2.790 30 50 CFEA CCC#CCN1CCN(c2ccc(OC)cc2)C[C@@H]1C 670434951 DMQNNTPWDMCESL-HNNXBMFYSA-N 272.392 2.619 30 50 CFEA C#C[C@H](NCc1cccc(OC(F)(F)F)c1)[C@@H]1CCCO1 170084440 KFQKYHKHSOPEJC-KBPBESRZSA-N 299.292 2.856 30 50 CFEA Cc1nc2c(s1)CCC[C@H]2CN(C)c1cncc(C#N)n1 575603605 IZMNQKATXCQVKW-NSHDSACASA-N 299.403 2.670 30 50 CFEA Cc1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1 94617 AEWAFLUKJFIWDP-UHFFFAOYSA-N 272.329 2.668 30 50 CFEA COc1ccc(C=O)cc1COc1ccc(C#N)cc1 335391 CPIXHAGRFHZALO-UHFFFAOYSA-N 267.284 2.958 30 50 CFEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(F)(F)F 307698037 MKRQKERJLKEFSI-UHFFFAOYSA-N 287.090 2.708 30 50 CFEA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cccc(C#N)c1 64441067 UEAYATUMVMIAFC-OAHLLOKOSA-N 296.374 2.599 30 50 CFEA COC(=O)c1cc(C#N)c2c3ccccc3ccn12 43191233 CYAHBGZGAJGHJB-UHFFFAOYSA-N 250.257 2.751 30 50 CFEA CCc1c[nH]c(Sc2ccc(C#N)cc2[N+](=O)[O-])n1 301673463 PDRDIWSSKZKZHF-UHFFFAOYSA-N 274.305 2.903 30 50 CFEA N#Cc1ccccc1OCCO[C@@H]1CCCc2c[nH]nc21 190168044 KKZSURMMCRTSEO-OAHLLOKOSA-N 283.331 2.754 30 50 CFEA CC[C@H](c1ccc(F)cc1)S(=O)(=O)CCCC#N 190927174 HYKUMMVYAUTXRS-CYBMUJFWSA-N 269.341 2.995 30 50 CFEA N#Cc1cc(N2CC[C@H]3C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 596511846 QWCNIHJBEQCDEJ-CMPLNLGQSA-N 294.314 2.861 30 50 CFEA C=CCn1c(C)nnc1SCC(=O)c1ccccc1 12851223 QOEHFZFWVICGQY-UHFFFAOYSA-N 273.361 2.748 30 50 CFEA Cc1ccc(C)c(N/C(N)=N/c2nc(C)cc(C)n2)c1 13124886 KPXHLHNMKARPCA-UHFFFAOYSA-N 269.352 2.769 30 50 CFEA C#CCCC1(CCC(=O)N2CCC[C@H](CCF)C2)N=N1 952883836 XVXDBDPSGSLUPD-CYBMUJFWSA-N 279.359 2.940 30 50 CFEA Cc1cnc([C@H](C)N2CCc3c(sc(N)c3C#N)C2)o1 1413075588 OAHUYDMKTPQMAK-VIFPVBQESA-N 288.376 2.618 30 50 CFEA C=CCc1cccc2cc(C(=O)OCC)c(=O)oc12 105719 ODDDEPOKLBWTBJ-UHFFFAOYSA-N 258.273 2.698 30 50 CFEA biogenic O=C(C[C@]1(O)OC(c2ccccc2)=CC1=O)c1ccccc1 218566 KDTHYVPVPSPOSY-SFHVURJKSA-N 294.306 2.588 30 50 CFEA COC(=O)c1ccc(CCCNc2ccc(C#N)cc2)o1 306145212 LNHLHJPOUXHMFR-UHFFFAOYSA-N 284.315 2.983 30 50 CFEA CCOc1ccc(N2Cc3ncccc3C2=O)cc1C#N 65494115 LATSUHPCPWRVTB-UHFFFAOYSA-N 279.299 2.512 30 50 CFEA CCCn1ncc(CN2CCC(C)(C#N)CC2)c1C 215605282 YUBONBGPZIUQIR-UHFFFAOYSA-N 260.385 2.727 30 50 CFEA C[C@@H]1CCCC[C@@H]1/N=C(/O)[C@@H]1CCc2cncn2C1 328592569 DMJFCBVVMSGOFO-BZPMIXESSA-N 261.369 2.981 30 50 CFEA N#Cc1cc(Br)c(C(F)F)c(C(=O)O)c1 263622812 BCXRLXNLTSSXAA-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA CCC/N=C(\S)Nc1cc(OC)ccc1OC 2154886 CIHQGCMTNXGTCT-UHFFFAOYSA-N 254.355 2.812 30 50 CFEA C=CCCC(=O)N[C@H](CO)c1ccc(Br)cc1 355761718 SAFZTXAQUVPVJW-GFCCVEGCSA-N 298.180 2.565 30 50 CFEA CCn1/c(=C\C=[N+](C)C)c2cccc3cccc1c32 5686925 DCOWHBLSJUDQRK-UHFFFAOYSA-N 251.353 2.657 30 50 CFEA N#Cc1cc(Br)ccc1N1CCSC1 169725884 PJYXEUBCMDBLNK-UHFFFAOYSA-N 269.167 2.831 30 50 CFEA N#Cc1cn(CC(=O)N2CCCCC2)c2ccccc12 253159 AUFIGQAVTYQGEB-UHFFFAOYSA-N 267.332 2.525 30 50 CFEA C[C@@H]1CC[C@@H]2CNC(=NC[C@@H]3CCCC3(C)C)N2C1 2325864667 VXSLQRZPOLNMPA-HZSPNIEDSA-N 263.429 2.872 30 50 CFEA N#Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 38778 GUTSPDJJXFMPBK-UHFFFAOYSA-N 267.244 2.719 30 50 CFEA Cc1nc(-c2ccc(C#N)cc2)c2c(C)noc2n1 216527195 RWSSZTWJRUYZNE-UHFFFAOYSA-N 250.261 2.773 30 50 CFEA N#C[C@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(F)cc1 609044057 SIDQHSSIUHJXMS-LVGORTOPSA-N 270.307 2.719 30 50 CFEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1n[nH]cc1Cl 1506425109 CPCMRASQHHXWAH-NXEZZACHSA-N 265.744 2.798 30 50 CFEA C=CCN(CC=C)C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 11354976 ZQMIIKKRNDXTOB-OAHLLOKOSA-N 298.386 2.549 30 50 CFEA N#CCc1cc(Br)nc(Br)c1 169726006 AVVPGFZMGFMYCV-UHFFFAOYSA-N 275.931 2.673 30 50 CFEA N#CCC(=O)Nc1ccccc1-c1ncc2n1CCCC2 408522392 IJXUABMWHGDYDF-UHFFFAOYSA-N 280.331 2.739 30 50 CFEA Cc1cccc(N/C(S)=N\C[C@H]2CCCO2)c1 13468601 AJWMKLWNNYDADX-GFCCVEGCSA-N 250.367 2.872 30 50 CFEA N#Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)c(F)c1 4841000 LDRNAFDGSPUECM-UHFFFAOYSA-N 298.273 2.721 30 50 CFEA C=CCC1(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CCC1 221941385 JVPQROAZKXGOAP-CABCVRRESA-N 278.440 2.969 30 50 CFEA CCCNCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 170007471 JEHRHHFHMJXSDO-UHFFFAOYSA-N 293.191 2.625 30 50 CFEA Cc1nc(N=C(O)[C@H]2C[C@]23CCOC3)cc(C2CC2)n1 329634099 WZUTVQLQVLOJOS-ABAIWWIYSA-N 273.336 2.677 30 50 CFEA C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)[C@@H]2CCCC[C@H]12 273103190 UZCDJXBKFGBKRT-MPKXVKKWSA-N 257.337 2.537 30 50 CFEA C=C(C)C[C@H](C)C(=O)N[C@H](c1csc(C)n1)[C@H](C)O 585126870 KFVDAIRXSLWZHY-KWBADKCTSA-N 282.409 2.592 30 50 CFEA CCNCC#CCOc1cccc(C(F)(F)F)c1 16623506 ROJVHMJSQSZKFI-UHFFFAOYSA-N 257.255 2.697 30 50 CFEA C=CC1(CC(=O)Nc2cc(OC)n(C)n2)CCCCC1 935453378 NZELKMKGNPMBMO-UHFFFAOYSA-N 277.368 2.894 30 50 CFEA C=CCCCS(=O)(=O)N[C@@H](C)c1ccccc1N(C)C 888095526 LVSURGCZKDVIEJ-ZDUSSCGKSA-N 296.436 2.699 30 50 CFEA C=CCSc1nnc(NC(=O)c2ccco2)s1 3407504 JKFQODJGOZLIPK-UHFFFAOYSA-N 267.335 2.662 30 50 CFEA Cc1ccc(-n2c(C)cc(/C=N/NC(N)=S)c2C)cc1 8687310 SMPCJGBROFJISX-RQZCQDPDSA-N 286.404 2.570 30 50 CFEA CCCCCCC[C@H](C(=O)OCC)C(=O)C(=O)OCC 101015982 BLJRUVYCDGWNFY-LBPRGKRZSA-N 286.368 2.658 30 50 CFEA Cc1cc(C)c(C#N)c(-c2ccc(C(=O)N(C)C)cc2)n1 67908727 HVISGSCDXRUGAW-UHFFFAOYSA-N 279.343 2.939 30 50 CFEA Cc1cncc(C(=O)Nc2nc3c(cc2C#N)CCCC3)c1 121878205 FTITXCSNBSNKBI-UHFFFAOYSA-N 292.342 2.788 30 50 CFEA CC1(C)OB(c2ccc(C(F)F)s2)OC1(C)C 575629090 ISNNAEDWIJYDEC-UHFFFAOYSA-N 260.114 2.985 30 50 CFEA C=CCNc1nnc(S[C@H]2CCCC[C@@H]2O)s1 169924073 HDEDYCYYTSQODJ-IUCAKERBSA-N 271.411 2.532 30 50 CFEA C=CCN1C(=O)/C(=C/c2ccc(N)cc2)SC1=S 1084855 INMPSDGGCFQRMD-FLIBITNWSA-N 276.386 2.656 30 50 CFEA CCCc1cc(=O)n2c([nH]c3ccccc32)c1C#N 100152380 YRPGDJIBXPBQIQ-UHFFFAOYSA-N 251.289 2.605 30 50 CFEA C[C@@H](Nc1cncc(C#N)n1)[C@H]1OCCc2sccc21 420645533 YULZFGCFQNNBFF-YMTOWFKASA-N 286.360 2.524 30 50 CFEA C=C(Br)Cn1cnc(-c2ccccc2)n1 117558063 UNJBPSIHBRFORS-UHFFFAOYSA-N 264.126 2.854 30 50 CFEA C#Cc1cc(F)c(NCc2ncnn2C(C)(C)C)c(F)c1 253397779 JSYIZOQZIYGVFM-UHFFFAOYSA-N 290.317 2.905 30 50 CFEA C#CCOc1cccc(-c2noc(C3CCOCC3)n2)c1 225592608 ZIEMYUBDFJPDPZ-UHFFFAOYSA-N 284.315 2.643 30 50 CFEA C#CCOc1cccc([C@@H](C)NC2CCN(C3CC3)CC2)c1 1616028599 MHWKIAHPADWUKN-OAHLLOKOSA-N 298.430 2.976 30 50 CFEA N#Cc1cc(Br)ccc1OCC(F)F 163088062 DDHRAUGRLBVYRM-UHFFFAOYSA-N 262.053 2.965 30 50 CFEA C#CCCC1(CCN2CCc3ccc([N+](=O)[O-])cc3C2)N=N1 2325891958 OMPGYDZOXHFHOP-UHFFFAOYSA-N 298.346 2.919 30 50 CFEA O=C1C(Cl)=C(Cl)C(=O)c2cc([N+](=O)[O-])ccc21 2576967 NQKHIWJEMSIMRV-UHFFFAOYSA-N 272.043 2.663 30 50 CFEA Cc1cc(C)nc(/N=C(/N)Nc2ccccc2Cl)n1 4008870 RJBYGSSUTDRSHU-UHFFFAOYSA-N 275.743 2.805 30 50 CFEA O=C(/C=C(\O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 100745904 WRARGKXNXDIYCL-UITAMQMPSA-N 261.155 2.782 30 50 CFEA C#Cc1ccc(CN2CCC(CNC(=O)C(C)C)CC2)cc1 67817035 PGUMJUILXIPJHG-UHFFFAOYSA-N 298.430 2.652 30 50 CFEA C=CCNc1ccc(C(=O)N2CCC[C@@]3(CCNC3)C2)cc1 67672998 SREAQJIUUBMZBD-SFHVURJKSA-N 299.418 2.500 30 50 CFEA COc1nccnc1-c1ccc(C(C)(C)C#N)cc1 426612759 ZTLUFVUQFXWQRC-UHFFFAOYSA-N 253.305 2.953 30 50 CFEA N#C[C@H](C(=O)c1ccc(-n2ccnc2)cc1)c1ccccn1 193252592 VCRUHAJXFFLWSM-HNNXBMFYSA-N 288.310 2.757 30 50 CFEA CC(=O)Nc1ccc(/C=C/C(=O)c2cccnc2)cc1 5186320 IKABVNSSTWDGCO-RMKNXTFCSA-N 266.300 2.936 30 50 CFEA C=CCNCC[C@@H]1CCC(=O)N1Cc1ccc(F)cc1F 14879069 JZKBLYFSLNKRFK-AWEZNQCLSA-N 294.345 2.622 30 50 CFEA CC1(C)CC(=O)C=C(NCc2ccc(C(=O)O)cc2)C1 100001676 HLPHVUQJWWDIJD-UHFFFAOYSA-N 273.332 2.747 30 50 CFEA Cc1noc(C/N=C(/O)c2csc(C(C)(C)C)n2)n1 330602124 IRDHLZLMNCIPCQ-UHFFFAOYSA-N 280.353 2.637 30 50 CFEA C[C@H](c1ccc(-c2cc(C#N)n(C)c2)cc1)N1CCOCC1 426387170 XFOOGBJTQHTGFU-CQSZACIVSA-N 295.386 2.957 30 50 CFEA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C#N)cc1 188690530 MURKGNVDMGNQQR-CABCVRRESA-N 286.375 2.739 30 50 CFEA Cc1ncccc1CNCc1ccc(C#N)cc1F 237605332 OMFQRJOOLZRJAY-UHFFFAOYSA-N 255.296 2.691 30 50 CFEA C=C1[C@@H](OC(=O)CCCC(=O)NCC)C[C@H]2C[C@@H]1C2(C)C 225691037 XUUSSCMCWCAUHV-RDBSUJKOSA-N 293.407 2.827 30 50 CFEA Cc1nnc(/N=C(\O)[C@H](C)N2CCC(C)CC2)s1 20706571 ZGPVJQNUEMSABF-VIFPVBQESA-N 268.386 2.555 30 50 CFEA CC1=CSC2=[N+](CC(=O)c3ccc(Cl)cc3)CCN12 3133088 DSMOWQSYVGQNTB-UHFFFAOYSA-N 293.799 2.815 30 50 CFEA CCOc1nc(-c2ccc3c(c2)OCO3)ccc1C#N 4052216 BIRDCQXVPIBBMM-UHFFFAOYSA-N 268.272 2.748 30 50 CFEA CCOC(=O)[C@@](C#N)(CC)[C@@](C)(C#N)c1ccccc1 44124985 KHMZDXPHUGUPOD-HOTGVXAUSA-N 270.332 2.951 30 50 CFEA CC(C)(C)OC(=O)N1CC[C@@H](CC#N)C(F)(F)C1 259987645 SIPFKQBCHBXCOL-SECBINFHSA-N 260.284 2.792 30 50 CFEA N#C[C@@H]1CCC[C@H](NCCOc2ccc(Cl)cn2)C1 185855843 NJJUGSXZLKGLEY-YPMHNXCESA-N 279.771 2.786 30 50 CFEA N#Cc1ccccc1CS(=O)(=O)Nc1ccccc1 7323187 RMTJRVKTEYUVPG-UHFFFAOYSA-N 272.329 2.500 30 50 CFEA CN(C)c1ccc([C@H](C#N)c2ccc(Cl)cc2)nn1 1401095 ZLEPGYIWIDKQFE-GFCCVEGCSA-N 272.739 2.851 30 50 CFEA CC1=C2C[C@]3(C)CCC(=O)[C@H]4O[C@]43C[C@]2(C)CCC1=O 71786182 RWQBTOWAOIUJLX-LTIDMASMSA-N 274.360 2.973 30 50 CFEA O/C(=N/[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCCCS1 329330892 MALGWULEZOYDLW-SKDRFNHKSA-N 265.382 2.509 30 50 CFEA Cn1cc(N=C(O)[C@@H]2CCCOCC2)c(C2CC2)n1 329573227 AHTVIOCIFMKIEB-LLVKDONJSA-N 263.341 2.702 30 50 CFEA N#C[C@@H]1CC[C@@H](NC[C@@H](c2ccco2)N2CCCC2)C1 442632251 ZYEBFQMOABMMNW-KFWWJZLASA-N 273.380 2.698 30 50 CFEA C=CCOc1ccc2nc3n(c(=O)c2c1)CCCCC3 334161369 ZEKLPPFDQXKQJT-UHFFFAOYSA-N 270.332 2.688 30 50 CFEA N#Cc1cccc(C2(NC(=O)c3ncoc3C3CC3)CC2)c1 293381499 MYKOUIBAAUQCOL-UHFFFAOYSA-N 293.326 2.843 30 50 CFEA N#CCC(=O)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1 585088005 GTFBYOYWVRPORK-UHFFFAOYSA-N 284.294 2.945 30 50 CFEA C=C[C@H](C)CC[C@H](OC(C)=O)C(C)(C)OC(C)=O 5696616 VMIOCHYFRQSIRR-GWCFXTLKSA-N 256.342 2.862 30 50 CFEA N#Cc1ccccc1COc1ccc(C(=O)O)cc1 13413918 XKECNJPQFMMODS-UHFFFAOYSA-N 253.257 2.835 30 50 CFEA C#CCCC1(CCC(=O)N2CCO[C@H]3CCCC[C@@H]32)N=N1 952882049 LDZBVDFIJKADEB-KBPBESRZSA-N 289.379 2.512 30 50 CFEA CCOC(=O)[C@@H](C#N)c1ccc(F)cc1Br 1776010800 MYMBLHUYJPTEQM-VIFPVBQESA-N 286.100 2.758 30 50 CFEA CC(=O)C1=C(O)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1 103218710 YDDHSNFHTLNLJU-IKGGRYGDSA-N 288.343 2.531 30 50 CFEA C=CCC1(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CCC1 225357807 JVPQROAZKXGOAP-GJZGRUSLSA-N 278.440 2.969 30 50 CFEA N#Cc1ccc2c(c1)N(C(=O)Nc1ccncc1)CC2 225511798 BCWKKKOPSZPMGE-UHFFFAOYSA-N 264.288 2.548 30 50 CFEA O=S1(=O)CCC[C@H](C/N=C(/O)C[C@H]2C=CCCC2)C1 329240857 RHNHHMNTDZQUQC-QWHCGFSZSA-N 285.409 2.514 30 50 CFEA C[C@@H](c1cccnc1)N(C)C(=O)c1ccccc1C#N 216528268 OKTYRUVRPDYENN-LBPRGKRZSA-N 265.316 2.786 30 50 CFEA NC(N)=Nc1nc(-c2ccc(C(F)(F)F)cc2)cs1 219063977 PWRAHNAGZCBHFQ-UHFFFAOYSA-N 286.282 2.734 30 50 CFEA CC[C@@H](CC#N)NS(=O)(=O)c1cc(C)ccc1Cl 186427726 CVGNMXXQDNZSFJ-JTQLQIEISA-N 286.784 2.619 30 50 CFEA CSc1ccc(/C=C2/S/C(=N/C(C)=O)NC2=O)cc1 15723022 JTUGMKTVRCLFTO-YRNVUSSQSA-N 292.385 2.515 30 50 CFEA CC(C)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 169932171 ORRFUGSTPKCBFT-UHFFFAOYSA-N 289.228 2.826 30 50 CFEA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(c1cccc(C#N)n1)C2 248233242 BEDWBAGFCNNVJP-RDJZCZTQSA-N 296.418 2.820 30 50 CFEA C=CCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Cl)cc1 443958 GOTRTAWJFOBASH-ZDUSSCGKSA-N 291.734 2.810 30 50 CFEA COc1ccc(OCC#CCN2CCC(C)CC2)cc1 2838787 QFIDTHVQZHPXID-UHFFFAOYSA-N 273.376 2.809 30 50 CFEA CCOC(=O)C(Cl)(Cl)C(=O)/C(Cl)=C\Cl 4827839 ARTIQWVHSTUIEC-ONEGZZNKSA-N 279.934 2.612 30 50 CFEA CCC[C@@]1(CO)CCN(CCCC2(C#N)CCOCC2)C1 367370469 LMACRWSOUITMBQ-QGZVFWFLSA-N 294.439 2.571 30 50 CFEA Cc1cccc([C@@H](C)S(=O)(=O)CCCC#N)c1 190929717 QLZXBYPKYUOGCR-GFCCVEGCSA-N 251.351 2.775 30 50 CFEA COc1ccc(O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 609000 PJCBPJMVROIQAR-LBPRGKRZSA-N 296.326 2.973 30 50 CFEA CCCCCCCC[N+](C)(C)CCCS(=O)(=O)O 2384686 QZRAABPTWGFNIU-UHFFFAOYSA-O 280.454 2.701 30 50 CFEA in-vitro O=S(=O)(O)c1ccc(N/N=C/c2ccccc2F)cc1 4952781 QFDQWYOIBFJOFS-OQLLNIDSSA-N 294.307 2.518 30 50 CFEA COc1ccc(C(=O)/C=C2/Nc3ccccc3OC2=O)cc1 100540000 JKWVDPSNCHFRFM-GXDHUFHOSA-N 295.294 2.793 30 50 CFEA Cc1cc2cccc(B3OC(C)(C)C(C)(C)O3)c2[nH]1 197391596 JLLLSNSEZXGVMY-UHFFFAOYSA-N 257.142 2.776 30 50 CFEA CC#CC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 764607204 VPUYGIJLLKYEKU-CYBMUJFWSA-N 264.328 2.949 30 50 CFEA C=C(C)[C@H](OC(=O)c1ccccc1)[n+]1ccccc1 5283283 LJSOLPPUUGJJBH-HNNXBMFYSA-N 254.309 2.906 30 50 CFEA CC#CC(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 854815849 AFMMKLHNKVIWEX-VIFPVBQESA-N 275.739 2.759 30 50 CFEA N#CCc1ccc(NC(=O)c2cc3cccnc3[nH]2)cc1 1875341469 UQNVQLYDPIXDKG-UHFFFAOYSA-N 276.299 2.881 30 50 CFEA Cc1cc(C)c[n+](CC(=O)c2cc3ccccc3oc2=O)c1 2902905 BVPLHMIIXOAWPO-UHFFFAOYSA-N 294.330 2.580 30 50 CFEA COc1ccc(/C(N)=N/OC(=O)/C=C/c2ccccc2)cc1 8553239 GQJPXFDHAKFIDG-KPKJPENVSA-N 296.326 2.572 30 50 CFEA biogenic Cc1cc(F)c2[nH]ccc2c1B1OC(C)(C)C(C)(C)O1 218969700 IZWFOTDZJSENBJ-UHFFFAOYSA-N 275.132 2.915 30 50 CFEA CCCc1cc(CN(C)C(=O)Nc2ccc(C#N)cc2)n[nH]1 96167064 LLZCJTJJSQFMMQ-UHFFFAOYSA-N 297.362 2.898 30 50 CFEA Cc1cc(C)n(N=C/C=C\c2ccccc2)c(=O)c1C#N 254820357 YTRNPYCLWYTULP-ROIPMTIQSA-N 277.327 2.884 30 50 CFEA Cc1ccc(-c2nc3n(c(=O)c2C#N)CCCS3)cc1 5607345 MRGSDGQEOKVFSE-UHFFFAOYSA-N 283.356 2.586 30 50 CFEA O=C(Oc1c(F)c(F)cc(F)c1F)C(F)(F)F 8698331 OJLSSULCTKBVOB-UHFFFAOYSA-N 262.080 2.711 30 50 CFEA Cc1noc(CN/C(O)=N/CC2CCC(C)(C)CC2)n1 330470086 CKUVDBARFAFFFA-UHFFFAOYSA-N 280.372 2.598 30 50 CFEA O=[N+]([O-])c1ccc(N/N=C2\C=C[C@@H]3CC[C@H]23)c([N+](=O)[O-])c1 71785311 DWSYORWIRZRPET-RLORFUQASA-N 288.263 2.867 30 50 CFEA N#Cc1c(F)cccc1N1CCC[C@H]1c1cc[nH]n1 336124323 OHDXVQDJDRCOEK-AWEZNQCLSA-N 256.284 2.762 30 50 CFEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccoc1CC 281230903 FBMXULBHNVEZRS-BXUZGUMPSA-N 263.337 2.553 30 50 CFEA Cc1cccc([B-](OC(C)C)(OC(C)C)OC(C)C)n1 169747519 VMJQLUDDEOLRBB-UHFFFAOYSA-N 280.197 2.811 30 50 CFEA in-vitro C=CCN(CC=C)C(=O)c1c(O)cnc2ccccc12 193122342 GMJWZPGQGGPHIA-UHFFFAOYSA-N 268.316 2.755 30 50 CFEA N#Cc1cccc(CN2CCO[C@@H]3CCCC[C@H]32)c1 230251100 KLYFALREGDUHSA-HZPDHXFCSA-N 256.349 2.702 30 50 CFEA N/C(=N\OC(=O)c1ccc2ccccc2c1)c1ccccn1 4192122 JGYKQIJFLHUIEH-UHFFFAOYSA-N 291.310 2.712 30 50 CFEA COc1cccc(N/C(S)=N\Cc2cccnc2)c1 5550362 GBMPFJRMXGFJEX-UHFFFAOYSA-N 273.361 2.988 30 50 CFEA C[C@]1(CNc2cc[nH]c(=N)c2C#N)CCCC1(F)F 2325789483 SGCXNGACAKXRQR-GFCCVEGCSA-N 266.295 2.603 30 50 CFEA Cn1ccnc1[C@H](C#N)C(=O)CCSc1ccccc1 888099585 RLNWXAOMJRPPPH-CYBMUJFWSA-N 285.372 2.779 30 50 CFEA CCCCCCCCCCCC(=O)OC[C@@H](O)CO 8437478 ARIWANIATODDMH-AWEZNQCLSA-N 274.401 2.804 30 50 CFEA in-vitro C/C(NC(=O)c1ccccc1)=C1/C(=O)C[C@@H]2[C@@H]1C2(C)C 100059684 AEGPEQPADQUZBA-BKMOOISMSA-N 269.344 2.935 30 50 CFEA biogenic CCC(N[C@H](C)CC)=C1C(=O)CC(C)(C)CC1=O 100467014 BUEXENNJVFWMKI-SNVBAGLBSA-N 251.370 2.997 30 50 CFEA CC1(C/N=C(/O)c2csc(O)n2)Cc2ccccc2C1 329920039 DRFDBSSZBJSDKC-UHFFFAOYSA-N 288.372 2.958 30 50 CFEA Cc1nsc(N[C@@H]2C[C@@H](C)n3ccnc32)c1C#N 333759913 ZMXDSGIJTHZHAZ-GMSGAONNSA-N 259.338 2.638 30 50 CFEA CC1(C)[C@@H]2C[C@H]3OB(c4ccccc4)O[C@@]3(C)[C@@H]1C2 196074709 OZQWJKOXOILFRR-DCDXPUDHSA-N 256.154 2.622 30 50 CFEA COCCOc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cn1 185868324 RDRLOGZJLOXWHC-QWHCGFSZSA-N 275.352 2.601 30 50 CFEA O=[N+]([O-])c1ccc(/C=N\Nc2ccccc2[N+](=O)[O-])o1 16310560 KHFVJEWSRCFERM-GHXNOFRVSA-N 276.208 2.542 30 50 CFEA CCOc1ccccc1[C@H]1C(C(C)=O)=C(C)Nc2ncnn21 147735 JOGYRSCBPQEWBC-HNNXBMFYSA-N 298.346 2.555 30 50 CFEA OC1=N[C@@H](/C(O)=N/[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 329667689 RQCFGNOYZWECML-AVPPRXQKSA-N 280.274 2.896 30 50 CFEA c1cc2ccc(CN=C(NC3CC3)NC3CC3)cc2o1 2325739400 BWLVHOLNLYOLKT-UHFFFAOYSA-N 269.348 2.793 30 50 CFEA CC(NCc1ccco1)=C1C(=O)c2ccccc2C1=O 100306486 HFXXPLUGEMBMFQ-UHFFFAOYSA-N 267.284 2.722 30 50 CFEA Oc1cccc(/C=N\NC(=S)Nc2ccccc2)c1 20164140 NCHUSBPRQKECMH-GDNBJRDFSA-N 271.345 2.713 30 50 CFEA N#Cc1cnccc1/C=C/c1nccn1CC(F)(F)F 349115919 YBSCKWIAVGGYDN-OWOJBTEDSA-N 278.237 2.882 30 50 CFEA CN1CCCC[C@H]1CC/C(O)=N/CC1(CO)CCCC1 329525089 SLSGSLQFAJBEJJ-AWEZNQCLSA-N 282.428 2.760 30 50 CFEA CCCCSc1nc(N)cc(N2CCC(C#N)CC2)n1 95390169 GVFFGHBHWXDBAR-UHFFFAOYSA-N 291.424 2.691 30 50 CFEA N#C[C@@H]1CCC[C@@H](NCCOc2ccc(Cl)cn2)C1 185855822 NJJUGSXZLKGLEY-DGCLKSJQSA-N 279.771 2.786 30 50 CFEA CCCCCCCC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 170591489 BUYCPSKTGSFHQJ-ZBFHGGJFSA-N 283.412 2.801 30 50 CFEA CCCn1cc(CNc2cc(C#N)c3ccccc3n2)nn1 1615571880 PPIPHZDOKJRDLZ-UHFFFAOYSA-N 292.346 2.720 30 50 CFEA N#Cc1ccc(CN2CCO[C@@H]3CCCC[C@H]32)c(F)c1 230251137 TTYOEXKLJPDSJV-HZPDHXFCSA-N 274.339 2.841 30 50 CFEA O=C1CS/C(=N/c2ccccn2)N1C1CCCCC1 13116523 QSUXBAFNQJQXLI-JQIJEIRASA-N 275.377 2.977 30 50 CFEA O=C(/C=C/c1ccncc1)c1ccc2c(c1)OCCO2 4893327 BYGBMAUTPWSXFP-HNQUOIGGSA-N 267.284 2.749 30 50 CFEA O=C1C=CC(=NS(=O)(=O)c2ccc3ccccc3c2)C=C1 442945 FJQZYLIBGFSHMS-UHFFFAOYSA-N 297.335 2.665 30 50 CFEA COc1ccccc1OCC#CCN1CCC[C@@H](C)C1 2862890 NZWKOGWKHDUWSL-OAHLLOKOSA-N 273.376 2.809 30 50 CFEA Cc1cc(O[C@H](C)/C(O)=N/c2ncn[nH]2)ccc1Cl 4842927 HNJPWGPDQMHPAY-MRVPVSSYSA-N 280.715 2.822 30 50 CFEA CC1(C)OC[C@H](C[C@@]23CCC(=O)C=C2CCCC[C@@H]3O)O1 71786786 ANXHPKREXIUXBF-ZOBUZTSGSA-N 294.391 2.739 30 50 CFEA CCCCCCCn1c(C)nnc1-c1cnn(C)c1N 2513369 DKDWPOKXDDOHBA-UHFFFAOYSA-N 276.388 2.540 30 50 CFEA N#Cc1c(N2CCC[C@@H]2c2cccnc2)nc2ccccn12 364675321 LTHRIEUGVRVBQF-CQSZACIVSA-N 289.342 2.942 30 50 CFEA CCOC(=O)[C@@](C#N)(CC)[C@](C)(C#N)c1ccccc1 44124992 KHMZDXPHUGUPOD-CVEARBPZSA-N 270.332 2.951 30 50 CFEA Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]1CN1CCCC1 178651005 VKKJUATXEYDEGB-INIZCTEOSA-N 297.402 2.567 30 50 CFEA COc1ccc(NC(=O)NCCCOC(C)C)cc1C#N 95528106 LVIJLQQEGGNGGM-UHFFFAOYSA-N 291.351 2.503 30 50 CFEA N#Cc1nc(/C=C/c2ccccc2)oc1N1CCC[C@@H](O)C1 606422443 JVZNKLOKOXDKOU-MYSGNRETSA-N 295.342 2.678 30 50 CFEA N#Cc1nccc(C(F)(F)F)c1Br 263624233 ONKHXRZFWLVTQI-UHFFFAOYSA-N 251.005 2.735 30 50 CFEA N#Cc1cccc(C(=O)NCCCCN2CCCCCC2)c1 670445182 UPXUYHIEFPMWKY-UHFFFAOYSA-N 299.418 2.944 30 50 CFEA N#C[C@@H](C(=O)c1cccnc1)c1cnc2ccccc2n1 170611866 QTADGMWQLZCUST-GFCCVEGCSA-N 274.283 2.515 30 50 CFEA C=C[C@H](n1cncn1)C(O)(c1ccccc1)c1ccccc1 5283219 DPPGMVHXXRQNNI-KRWDZBQOSA-N 291.354 2.941 30 50 CFEA CC1(C)OB(c2cc3cc[nH]c3cc2F)OC1(C)C 203566448 AMTWQPUJRSKZAR-UHFFFAOYSA-N 261.105 2.606 30 50 CFEA Cc1c(C#N)c(N2CCCN(C)CC2)nc2ccccc12 1857671937 YICAWCOAOISRIV-UHFFFAOYSA-N 280.375 2.557 30 50 CFEA N#Cc1cnc(N[C@H]2CCCN(c3ccccc3F)C2)cn1 128655003 OLJVVXDPUPDXQK-LBPRGKRZSA-N 297.337 2.568 30 50 CFEA Cc1cc(C#N)c(NCC2(CO)CCCC2)nc1C 534636219 NUIHZBUDUBZXSK-UHFFFAOYSA-N 259.353 2.535 30 50 CFEA Cn1cnc(N=C(O)c2ccc(Oc3ccccc3)nc2)n1 328592289 MJUDXKWNBDIZMY-UHFFFAOYSA-N 295.302 2.639 30 50 CFEA COC1CCC(C/N=C(/O)[C@H]2CCc3n[nH]cc3C2)CC1 328805664 KUNMVURFLBWXDZ-LXVYMNJGSA-N 291.395 2.676 30 50 CFEA Cc1cc(C)n(CCCN(C)Cc2cc(C#N)n(C)c2C)n1 670457694 OSJRTJWCWUUSRL-UHFFFAOYSA-N 299.422 2.541 30 50 CFEA C#CC[C@H](NC(=O)N1C[C@H](C)OC[C@@H]1C)c1ccccc1 272558092 JDXAOAZFRZFQJX-DZKIICNBSA-N 286.375 2.570 30 50 CFEA N#Cc1ccc(NC(=O)c2cc(C3CC3)on2)cc1 2497959 QUOXHXJAVCNUEC-UHFFFAOYSA-N 253.261 2.676 30 50 CFEA CC#CC(=O)N(CC)[C@@H](Cc1ccccc1)[C@@H]1CCCO1 1875370281 ISGSTIOQDDYOFT-IRXDYDNUSA-N 285.387 2.649 30 50 CFEA Cc1ccc(O)c(NC=C2C(=O)CC(C)(C)CC2=O)c1 4976020 WAWMUTFBFMUFCV-UHFFFAOYSA-N 273.332 2.955 30 50 CFEA O=C1C(=CNCc2ccc(F)cc2)C(=O)c2ccccc21 100337376 OJXOKMRWRLXKNM-UHFFFAOYSA-N 281.286 2.878 30 50 CFEA CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3)O[C@@H]2C1 242543498 KCNPMWOOFGBZDW-CJNGLKHVSA-N 275.348 2.922 30 50 CFEA C=CCN1CCC[C@H]1C(=O)NC1(Cc2ccccc2C)CC1 534663398 BSVIGENWECMLAW-KRWDZBQOSA-N 298.430 2.837 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1cc2n(n1)CCCC2 585126762 HTZCAGLDHAOWBL-OLZOCXBDSA-N 275.396 2.999 30 50 CFEA N#CCCN(CCC#N)C(=O)Cc1ccc(Cl)cc1 2855947 RTMPZUYVUYBRMQ-UHFFFAOYSA-N 275.739 2.538 30 50 CFEA CC1=CC2(CCN(Cc3cc(C#N)n(C)c3C)CC2)OCC1 1704310138 PGNAUWRAGGKWDB-UHFFFAOYSA-N 299.418 2.906 30 50 CFEA Cc1ccccc1Nc1sc(C(=O)O)c(N)c1C#N 1775973807 YTZGELYNYUVAGT-UHFFFAOYSA-N 273.317 2.952 30 50 CFEA CC1(C)OB(c2cc(Cl)ccc2[N+](=O)[O-])OC1(C)C 169904299 OGXVNFUFZOAUNA-UHFFFAOYSA-N 283.520 2.547 30 50 CFEA CC1(C)OB(c2ccnc(OC3CCCC3)c2)OC1(C)C 169968971 FBYBLWSHAHEVOW-UHFFFAOYSA-N 289.184 2.702 30 50 CFEA CC(C)C[C@@H](N)B1O[C@@H]2C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O1 200340599 YYXCDWMJTBCHJW-FTQJZPFOSA-N 265.206 2.627 30 50 CFEA Cc1cccc([C@@H](C)/N=C(/O)N(C)Cc2nc[nH]n2)c1C 331359007 VXKQLVVNMQMSTN-GFCCVEGCSA-N 287.367 2.529 30 50 CFEA CC(=O)c1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1 79827135 XNNLFYFCOXCBEL-GFCCVEGCSA-N 271.320 2.657 30 50 CFEA Cc1cccc(NC(=O)C[n+]2cc3ccccc3cn2)c1C 2519843 SVWPATRRPJFCHU-UHFFFAOYSA-O 292.362 2.778 30 50 CFEA CC1(C)OB(c2cccc3sc(S)nc23)OC1(C)C 170005663 JMQAIBOVKUPCID-UHFFFAOYSA-N 293.222 2.884 30 50 CFEA C=CCC1(CO)CCN(C(=O)OC(C)(C)C)CC1 66339324 MANSFZGRKKLTRT-UHFFFAOYSA-N 255.358 2.572 30 50 CFEA C=CC[C@H](CC)NC(=O)NCc1ccc(C#N)cc1F 253425963 KJJWWVUTMQFZRQ-ZDUSSCGKSA-N 275.327 2.851 30 50 CFEA C(=NN1CCN(Cc2ccccc2)CC1)c1cccs1 238950597 YVWDYPMRNJTENU-UHFFFAOYSA-N 285.416 2.900 30 50 CFEA CCc1nn(C)c(NC(=O)c2cccc(C#N)c2)c1CC 1529169270 SLZJTYWCLOGERM-UHFFFAOYSA-N 282.347 2.669 30 50 CFEA N#Cc1ccc(F)c(CN2CCO[C@@H]3CCCC[C@H]32)c1 230251123 UILXBXZJIOXLHD-HZPDHXFCSA-N 274.339 2.841 30 50 CFEA Cc1[nH]c(=NC(=O)c2ccc(Cl)cc2F)ccc1C#N 1875316910 IDPVOOVGHHXUMS-UHFFFAOYSA-N 289.697 2.728 30 50 CFEA CC#CC(=O)N(CCc1ccccn1)[C@@H]1CCC[C@H]1C 1875369736 DQHHYYLXRQIGFV-GDBMZVCRSA-N 270.376 2.665 30 50 CFEA CN(C)CC#CCC(O)(c1ccccc1)c1ccccc1 1829744 MKSIAZBEGBZBKC-UHFFFAOYSA-N 279.383 2.878 30 50 CFEA CSC1=N/C(=C\c2ccccc2[N+](=O)[O-])C(=O)S1 4755126 MLJGWRWTOGVHOS-VURMDHGXSA-N 280.330 2.928 30 50 CFEA O=C1Nc2ccccc2N/C1=C/C(=O)c1ccccc1 100297001 VYSUSLXZOLRSEX-GXDHUFHOSA-N 264.284 2.817 30 50 CFEA CN(C)/C=C1\COC(c2ccccc2)(c2ccccc2)C1=O 3190079 CKPDBTWWNMYQLO-FYWRMAATSA-N 293.366 2.975 30 50 CFEA C=CCC1(S(=O)(=O)c2ccccc2)CCC(=O)CC1 43214639 FGHQSBPGQCUVMA-UHFFFAOYSA-N 278.373 2.918 30 50 CFEA N#C[C@@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(F)cc1 609044058 SIDQHSSIUHJXMS-OBCWZRDOSA-N 270.307 2.719 30 50 CFEA CC#CC(=O)N(C)Cc1ccccc1C(F)(F)F 277349570 HVAZJPLYXFACKS-UHFFFAOYSA-N 255.239 2.687 30 50 CFEA N#Cc1ccc(I)c(Cl)c1 228807774 OUVGLBKTGXKVKS-UHFFFAOYSA-N 263.465 2.816 30 50 CFEA Cc1ccc(-n2cccc2/C=N/n2cnnc2)cc1Cl 469137 ZHMMEPDYGPMYLJ-QGMBQPNBSA-N 285.738 2.913 30 50 CFEA COc1cc(C#C[Si](C)(C)C)c(O)c(Cl)n1 169811382 UVJDGLRCSIFECD-UHFFFAOYSA-N 255.777 2.678 30 50 CFEA C#CCOc1c(Cl)cc(/C=C/[N+](=O)[O-])cc1OC 2821725 YHIRZMJOSHEDHC-SNAWJCMRSA-N 267.668 2.608 30 50 CFEA CCn1cc(/C=C2\Oc3cc(OC)ccc3C2=O)cn1 4742588 ZWVZDVPKVUUSGS-NSIKDUERSA-N 270.288 2.528 30 50 CFEA CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H]1CO1 2567352 NVPOUMXZERMIJK-QWHCGFSZSA-N 263.337 2.521 30 50 CFEA in-vitro CCN(CC)CC#C[C@](O)(c1ccccc1)c1cccnc1 3640352 LDBOQFKCZNFXLN-IBGZPJMESA-N 294.398 2.663 30 50 CFEA O=C(O)c1ccccc1NC=C1C(=O)c2ccccc2C1=O 2561822 DPTWWWKKMYNDHE-UHFFFAOYSA-N 293.278 2.760 30 50 CFEA C=C(C)CNC(=O)c1cc(CN(CC)CC)c(CC)o1 55089111 PTTFDUCFDUZEJE-UHFFFAOYSA-N 278.396 2.990 30 50 CFEA COc1ccc(N=C(N=CN(C)C)SC)cc1 334157444 CQONABREHHFFHP-UHFFFAOYSA-N 251.355 2.636 30 50 CFEA COC(=O)Cc1ccc(-c2cccc(C#N)c2)cc1 97757306 DKTYMONUGUYMEO-UHFFFAOYSA-N 251.285 2.941 30 50 CFEA O=C1C=C[C@]2(CCCO2)[C@H]2[C@H]3O[C@@H](c4ccccc43)[C@H]12 257358896 XAAVGILRPJBJBE-UHDSXZAQSA-N 268.312 2.733 30 50 CFEA Fc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1 4210497 OTZISQZGAQFCDG-MHWRWJLKSA-N 279.384 2.956 30 50 CFEA COc1cc(/C=C2\C(=O)ON=C2C)ccc1OC(C)C 4950157 HLXGUVAIYJLMAP-GHXNOFRVSA-N 275.304 2.799 30 50 CFEA O=C1C=CC(=O)C(c2ccc(C(F)(F)F)cc2)=C1 103690840 HWIOXUJZQKEBHP-UHFFFAOYSA-N 252.191 2.797 30 50 CFEA C=C(C)CN(CC)Cc1c(C)n(C)n(-c2ccccc2)c1=O 23282015 SKKKJDRBXMVROX-UHFFFAOYSA-N 299.418 2.882 30 50 CFEA COC(=O)CC(/C=N/O)=C(/Cl)c1ccc(C)cc1 22018909 FZFXCPHTZUVVQN-CZBQMEAOSA-N 267.712 2.968 30 50 CFEA COc1cc(C=NN2CCCCCC2)cc(OC)c1OC 25663550 GIQZMNASFWJAFV-UHFFFAOYSA-N 292.379 2.922 30 50 CFEA COc1ccc([C@@H](CC=O)NC(=O)OC(C)(C)C)cc1 39643204 JWAVLQHTIOGWIE-CYBMUJFWSA-N 279.336 2.850 30 50 CFEA COc1ccccc1C1=C(C)C(=O)C(C)=C(C)C1=O 138874516 SCRSLBJCHQFEMT-UHFFFAOYSA-N 256.301 2.957 30 50 CFEA N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3ccncc3)C2)C1 295892737 HWBJWJUFJIANLT-VNQPRFMTSA-N 255.365 2.953 30 50 CFEA O=C[C@]12[C@H]3[C@@H]4C=CC[C@@H]4[C@H]4[C@@H]3[C@@H]3[C@@H]5[C@@H]4[C@@H]1O[C@@H]1CC[C@@H]([C@@H]32)[C@H]51 254821238 GVVNEXCWLFFAGP-JQVGNOKRSA-N 294.394 2.539 30 50 CFEA C[C@H](c1ccccc1)[C@H]1CN/C(=N/Cc2ccccc2)N1 1775994073 RUEFXRJFISOPHI-RHSMWYFYSA-N 279.387 2.908 30 50 CFEA CC(NCc1cccnc1)=C1C(=O)c2ccccc2C1=O 2561774 PHDAHWZSPANQBT-UHFFFAOYSA-N 278.311 2.524 30 50 CFEA C(=N/N=c1/[nH]c2ccccc2s1)\c1cccnc1 3909710 MBSXNBUZWLNWAN-OQLLNIDSSA-N 254.318 2.559 30 50 CFEA COc1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 226063620 CTPPBRVIMIYKLP-UHFFFAOYSA-N 268.549 2.648 30 50 CFEA C=CCN(CC(F)(F)F)C(=O)c1ccc(C(=O)O)s1 237962845 XTVSVFWPUBXXBI-UHFFFAOYSA-N 293.266 2.637 30 50 CFEA C=CCNc1nc(-c2sc(N)nc2C)cs1 2497489 DUAGKVDCZHZCPF-UHFFFAOYSA-N 252.368 2.755 30 50 CFEA C=C(C)CNC(=O)NCc1ccnc2ccccc12 156616211 ZDEXLMSFQMLRPT-UHFFFAOYSA-N 255.321 2.610 30 50 CFEA C=CCCC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCC1 408520378 BJAHZZHIKKJJPM-UHFFFAOYSA-N 296.411 2.858 30 50 CFEA CC1(C)OB(c2cccc(OC3CC3)c2)OC1(C)C 170002782 QRRJFVBHNJSHKB-UHFFFAOYSA-N 260.142 2.527 30 50 CFEA in-vitro N#Cc1ccccc1C(F)(F)C(=O)N1CCCSCC1 585121170 HSEGXJUOAMRPAD-UHFFFAOYSA-N 296.342 2.616 30 50 CFEA N#Cc1cc2c(nc1SCC1=NOCC1)CCCC2 952993910 LLYFRZMKTAASHI-UHFFFAOYSA-N 273.361 2.700 30 50 CFEA CC(C)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4789769 WYSDOKPZMGYVGI-IZZDOVSWSA-N 252.230 2.557 30 50 CFEA Cc1ccc(N/C(N)=N\c2nc(C)cc(C)n2)c(C)c1 55450143 AZLBAAJJGCJANE-UHFFFAOYSA-N 269.352 2.769 30 50 CFEA C#CCCC1(CCC(=O)N2CCC(CCOC)CC2)N=N1 952882661 NWJULHXKMADNSW-UHFFFAOYSA-N 291.395 2.617 30 50 CFEA Cc1cc(C)c(C#N)c(N2CC[C@H](O)CC(C)(C)C2)n1 295875308 CWMSQVIXXPNWLK-ZDUSSCGKSA-N 273.380 2.557 30 50 CFEA O=C(C[n+]1ccc2c([N+](=O)[O-])cccc2c1)c1ccccc1 1596951 ITZIQUBIRYBIGM-UHFFFAOYSA-N 293.302 2.918 30 50 CFEA C=C(C)c1cccc(C(C)(C)NC(=O)N2CCOCC2)c1 4036998 PBKXFGYQDUYYAX-UHFFFAOYSA-N 288.391 2.997 30 50 CFEA N#Cc1cccc(-c2nc3sccn3c2C=O)c1 1406973 PFHMSNUQRIMNLD-UHFFFAOYSA-N 253.286 2.747 30 50 CFEA CN(C)Cc1csc(CN2CCC[C@H](C#N)C2)c1 97759151 QPYKJTULDLHXMG-GFCCVEGCSA-N 263.410 2.545 30 50 CFEA O=C1C=C[C@]2(CCCO2)[C@@H]2[C@H]3O[C@@H](c4ccccc43)[C@H]12 257358894 XAAVGILRPJBJBE-JSRQGNBESA-N 268.312 2.733 30 50 CFEA C=CCC(O)(CC=C)CNCC(C)(C)N1CCCCC1 952961005 WGMCHYZNQKMCOC-UHFFFAOYSA-N 280.456 2.724 30 50 CFEA N#CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 378893 VYLGTYJQVUXXIJ-UHFFFAOYSA-N 290.319 2.693 30 50 CFEA CC#CC(=O)NCCc1c[nH]c2ccc(OCCC)cc12 1875367467 FIUXEBVSTRBSLH-UHFFFAOYSA-N 284.359 2.639 30 50 CFEA N#Cc1cccc(-c2cnc3c(N4CCCC4)nccn23)c1 2356146275 ZCIBRRDVCMUKQS-UHFFFAOYSA-N 289.342 2.868 30 50 CFEA O=C[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 2569810 HZDPJHOWPIVWMR-INIZCTEOSA-N 283.327 2.723 30 50 CFEA in-vivo C=C(C)COc1ccc(C(=O)N2CCCC[C@H]2CO)cc1 55119783 YSKFQKWPVOYHLN-HNNXBMFYSA-N 289.375 2.629 30 50 CFEA O=C1C(=Cc2ccc3c(c2)OCO3)C(=O)c2ccccc21 47345 KFHYAPITKWBLHB-UHFFFAOYSA-N 278.263 2.878 30 50 CFEA CC1(C)CN(/C(O)=N/C(C2CCC2)C2CCC2)CC[C@@H]1O 329303871 ODPMWWNVKYACFY-AWEZNQCLSA-N 294.439 2.962 30 50 CFEA CC/N=C(/O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 328607165 UZUPCDGLLZSPNA-JKSUJKDBSA-N 299.374 2.985 30 50 CFEA COc1ccc(B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cc1 514251784 CJEDQOKLVJUDJG-RMIITELYSA-N 286.180 2.631 30 50 CFEA CC#CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 764508178 RXGCATLBQNMUOD-JTQLQIEISA-N 267.115 2.698 30 50 CFEA C=CCNC(=O)CN1CCC[C@H](c2ccc(Cl)cc2)C1 1506431421 JLLYAZHOXUDFLA-AWEZNQCLSA-N 292.810 2.822 30 50 CFEA COC(=O)c1ccc(N/C=C/C(=O)c2ccco2)cc1 436924 QSNRGEZPWRNMDM-CMDGGOBGSA-N 271.272 2.875 30 50 CFEA CC1(C)OB(c2ccc(C=O)c3ccccc23)OC1(C)C 200725444 JYOLGAMKDPDGSG-UHFFFAOYSA-N 282.148 2.952 30 50 CFEA CC(F)(F)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 1875389838 SAUQJDOOTHMBOU-UHFFFAOYSA-N 296.122 2.824 30 50 CFEA N#Cc1c(NC[C@]23CCCC[C@@H]2C3(F)F)cc[nH]c1=N 2325780802 QCIKPDRQHNEUNN-WCQYABFASA-N 278.306 2.603 30 50 CFEA C#CCOc1cc(Br)c(C=O)cc1OCC 2784329 SZFOSGMZEYWACH-UHFFFAOYSA-N 283.121 2.672 30 50 CFEA C=CCN(CC#Cc1ccccc1)C(=O)c1c(C)noc1C 55270700 REMAUJZUQMWUNK-UHFFFAOYSA-N 294.354 2.971 30 50 CFEA CCCC(=O)[C@H]1C(=O)CC(C)(C)C/C1=N\OCC 100319242 PFEDERZXNLGIFA-LERPTODRSA-N 253.342 2.753 30 50 CFEA C[C@]1(c2ccc(F)c(Br)c2)O[C@@H]1C#N 306389573 YUGZSRBBKDHUEF-NXEZZACHSA-N 256.074 2.726 30 50 CFEA C=CCNC(=O)c1c([Si](C)(C)C)sc(C)c1C 170162782 MXMXHPPIGKYTAR-UHFFFAOYSA-N 267.470 2.826 30 50 CFEA in-vitro C=C1C(=O)[C@H]2C(=O)C[C@@]13CC[C@H](c1ccccc1)[C@@H]23 71786073 VHTRAWFXBFAEBZ-DYWXZXKOSA-N 252.313 2.895 30 50 CFEA CCC(C)(C)c1cc(-c2c[nH]cn2)c(C#N)c(N)n1 71707858 LWBZSZORLVXDDT-UHFFFAOYSA-N 255.325 2.613 30 50 CFEA O/N=C/c1cc(Br)cc(Br)c1O 100012190 LRNICNSWROUZCF-XCVCLJGOSA-N 294.930 2.725 30 50 CFEA in-vitro C#Cc1cccc(N(Cc2ccncc2)C(=O)COCC)c1 193550806 FMEQLPBAEBZVQK-UHFFFAOYSA-N 294.354 2.633 30 50 CFEA CC1(C)OB(c2cc(Cl)c(O)c(Cl)c2)OC1(C)C 203599340 IAVSUBSFIDLDNW-UHFFFAOYSA-N 288.967 2.998 30 50 CFEA in-vitro CC1=CC(=O)/C(=C/Nc2cccc3ccc(C)nc23)C(=O)O1 1547200920 OEKORKUYAJQNMA-LCYFTJDESA-N 294.310 2.869 30 50 CFEA O=C(C[n+]1csc2ccccc21)c1cccc([N+](=O)[O-])c1 5904108 CTHXGBFIBNBQSA-UHFFFAOYSA-N 299.331 2.980 30 50 CFEA CCc1nc(SCc2ccc(C)cc2)[nH]c(=O)c1C#N 5238883 COIZUBHPIQXJAK-UHFFFAOYSA-N 285.372 2.805 30 50 CFEA Cn1cc(CN[C@H]2CCSC2)c(-c2ccc(C#N)cc2)n1 252482435 DFHUTNCCNQMBNA-HNNXBMFYSA-N 298.415 2.554 30 50 CFEA C[C@H](OCC1CC1)C(=O)Nc1cc(F)c(C#N)cc1F 952884688 JSZPKGVXHKUIQP-QMMMGPOBSA-N 280.274 2.590 30 50 CFEA CN(C)C(=O)Cc1ccc(Nc2cccc(C#N)c2)cc1 2100480296 CTJZCWXXJBDVJA-UHFFFAOYSA-N 279.343 2.933 30 50 CFEA C=CCSc1nc2ccccc2c(=O)n1CC=C 2684826 LTJWKVPCKKUDDN-UHFFFAOYSA-N 258.346 2.861 30 50 CFEA C#CCSc1nnc2c3ccccc3n(CC)c2n1 2776486 NGINMUPNCWFUKS-UHFFFAOYSA-N 268.345 2.725 30 50 CFEA C=CCNC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl 2976682 MKGLNLRAMOEZEX-LBPRGKRZSA-N 270.159 2.804 30 50 CFEA N#CC1(NC(=O)c2cc3c(cc2O)CCCC3)CCCC1 408405653 DRKBWZXMMZGASQ-UHFFFAOYSA-N 284.359 2.837 30 50 CFEA N#Cc1ccc(NCC2(CCO)CC2)c(Br)c1 157242262 MDIPKKYGPAJKHK-UHFFFAOYSA-N 295.180 2.895 30 50 CFEA CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H]1CO1 4977926 NVPOUMXZERMIJK-OLZOCXBDSA-N 263.337 2.521 30 50 CFEA in-vitro Cc1cccc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1 354860493 VDGSINDKOFOTGG-MRXNPFEDSA-N 279.343 2.840 30 50 CFEA C=C(C)CCNC(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1 1273381212 DWANWFXFJQBDEZ-INIZCTEOSA-N 286.375 2.879 30 50 CFEA Cc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)nc1 100254787 ZDNSSCOHDIYHRK-UHFFFAOYSA-N 258.321 2.644 30 50 CFEA C=CC[C@@H]1CC=C[C@@H](C)N1Cc1c(CO)cnc(C)c1O 67674912 ZGTPUGSIRKVESO-IUODEOHRSA-N 288.391 2.683 30 50 CFEA CC(C)(C)OC(=O)N1CCN(c2cccc(C#N)c2)CC1 22996588 CAHGMTOVXFIRAF-UHFFFAOYSA-N 287.363 2.615 30 50 CFEA C=C1C[C@@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 606445514 YECSALQWNOVDJE-RDJZCZTQSA-N 284.403 2.686 30 50 CFEA CN(C)c1ccc(CCC(=O)N2CCC[C@](C)(C#N)C2)cc1 221421020 WOZWYIPBHKQWFT-GOSISDBHSA-N 299.418 2.837 30 50 CFEA N#Cc1cccc(CN2CC[C@@H](N3CCCCC3)C2)c1 62979969 JCZBSVBOWDTRIM-QGZVFWFLSA-N 269.392 2.618 30 50 CFEA O=C(O)c1cc(/N=C/c2ccccc2O)ccc1O 61169 BICCUOGEUODANY-OVCLIPMQSA-N 257.245 2.547 30 50 CFEA biogenic C=CCCC(=O)N1CCC(c2ncc(C(=O)O)s2)CC1 630242711 MXWNSSCPNDOEJO-UHFFFAOYSA-N 294.376 2.514 30 50 CFEA C#CC1(OC[C@H](O)CNC2CCCCC2)CCCCC1 12342642 URVOITLNDVIRGR-MRXNPFEDSA-N 279.424 2.622 30 50 CFEA CC(C)(C)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 169808897 VEXKQQNEJFWZKS-UHFFFAOYSA-N 289.228 2.874 30 50 CFEA C[C@H](NC(=O)[C@@H]1CO1)c1ccc(-c2ccccc2)cc1 1875372709 LDKYNKPKNXGPCD-LRDDRELGSA-N 267.328 2.930 30 50 CFEA Cc1ccc(S(=O)(=O)N/N=C2/CCCC[C@@H]3C[C@@H]23)cc1 4948906 ZMTYKAMKJZLDNS-NEXNNHMCSA-N 292.404 2.839 30 50 CFEA COc1cccc2ccc(CN3CCC(C#N)CC3)nc12 215657969 FSNFNQRRFCYPEP-UHFFFAOYSA-N 281.359 2.979 30 50 CFEA C#C[C@@](C)(C=C)OC(=O)c1ccn(-c2ccccc2)n1 252495256 OORKDWQJRBUIMC-INIZCTEOSA-N 266.300 2.607 30 50 CFEA CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)C(=O)c2nccn2C)C1(C)C 123291693 WWTYEBSGNHZYCD-JHJVBQTASA-N 299.374 2.550 30 50 CFEA Cc1cccc(NC[C@H]2CCN(C[C@@H](C#N)CCC#N)C2)n1 222204955 JNBZZMLZJCKWKT-HZPDHXFCSA-N 297.406 2.567 30 50 CFEA CC#CC(=O)N(C)[C@H]1CCCc2nc(CC)sc21 278025883 FSAQHSFMCAOVQZ-NSHDSACASA-N 262.378 2.565 30 50 CFEA CC/C(C)=N/Nc1nnc2c(n1)[nH]c1ccccc12 248216 XFGIMZVHKWNJSZ-LZYBPNLTSA-N 254.297 2.704 30 50 CFEA CC[C@]1(/C=N/O)CCN(C(=O)OC(C)(C)C)C[C@H]1F 1542053005 CVMQRCZJENWGDX-OGSQCODOSA-N 274.336 2.822 30 50 CFEA C#CCCC1(CCC(=O)N2CCC[C@]3(C2)CC3(F)F)N=N1 952879733 ANCNCYKTJMULRB-CYBMUJFWSA-N 295.333 2.990 30 50 CFEA COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C#N 6701213 LMOXOTHPCHKUSH-LBPRGKRZSA-N 296.326 2.973 30 50 CFEA CC1(C)OB(c2ccc3sc(S)nc3c2)OC1(C)C 170005655 LPKBIVJTMUZQBI-UHFFFAOYSA-N 293.222 2.884 30 50 CFEA CC1(c2ccccc2F)CN(C[C@@H](C#N)CCC#N)C1 370516579 DECMFRYGSKJBKH-CYBMUJFWSA-N 271.339 2.843 30 50 CFEA C=CC[C@@H](CC(=O)N(C)OC)OCc1ccc(OC)cc1 43763153 XKBUUACTYKZOQH-HNNXBMFYSA-N 293.363 2.566 30 50 CFEA Cc1ncsc1CCC(=O)N1CCCC(C)(C)[C@H]1C#N 299003075 QIWQRBPHVSBYJY-CYBMUJFWSA-N 291.420 2.925 30 50 CFEA C=C1CCN(c2cnn(C(C)(C)C)c(=O)c2Cl)CC1 1337772336 SYIHGTAHRBORNC-UHFFFAOYSA-N 281.787 2.808 30 50 CFEA C=C[C@H](C)OC(=O)c1cc(NC(C)=O)ccc1F 187594357 YPHFYBROEFBTCB-QMMMGPOBSA-N 251.257 2.515 30 50 CFEA CC(C)CCCN1CCC(Nc2cncc(C#N)n2)CC1 1615585390 DQKLLOGFWCWFTK-UHFFFAOYSA-N 287.411 2.661 30 50 CFEA O=C(/N=C1/SCC(=O)N1c1ccccc1)C1CCCC1 1616031521 ODTBKSBPFPHGKH-FOCLMDBBSA-N 288.372 2.839 30 50 CFEA C=CCN1CCN(Cc2ccc(Cl)cc2)CCC1=O 15004826 QELUTQGFTZJTKL-UHFFFAOYSA-N 278.783 2.560 30 50 CFEA CN(C)Cc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 169956003 YQQGIMWHFDQUNR-UHFFFAOYSA-N 295.619 2.701 30 50 CFEA O=C(NCc1ccccc1Oc1cccc(F)c1)[C@H]1CO1 1875373290 XOSRFPIIJUGMEP-OAHLLOKOSA-N 287.290 2.633 30 50 CFEA C=CCc1ccccc1OC[C@@H](O)CN1CCC(C)CC1 207423 VVKIABHDJLQWEI-KRWDZBQOSA-N 289.419 2.887 30 50 CFEA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccc(C#N)cc1 2578577 PYMTTWVQVSELBI-LBPRGKRZSA-N 290.319 2.599 30 50 CFEA N#Cc1ccc(COC(=O)c2ccc3c(c2)OCO3)cc1 3314455 YEMTWWQKPITOJF-UHFFFAOYSA-N 281.267 2.644 30 50 CFEA Cc1nsc(N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N 291955305 NTFZUTLUSNGTHM-KOLCDFICSA-N 269.320 2.805 30 50 CFEA C=CCNCC[C@@H]1CCC(=O)N1Cc1cccc(Cl)c1 299757821 JYROACAVOZWQNV-HNNXBMFYSA-N 292.810 2.997 30 50 CFEA Cc1cc(NC(=O)c2ccc(C#N)nc2)n([C@@H](C)C2CC2)n1 1506423323 VEFPJBIQINFCRW-NSHDSACASA-N 295.346 2.682 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)[C@@H]1CC[C@@H](C)O1 328609163 CJPMVVVSEBSPRN-FVCCEPFGSA-N 255.358 2.572 30 50 CFEA CCc1cc(-c2cc(-c3ccco3)nc(N)c2C#N)[nH]n1 67934803 HCKLCSQVGSMOBX-UHFFFAOYSA-N 279.303 2.748 30 50 CFEA CC[C@H](/N=C(/O)c1cc(C)nc(O)c1)C1CCOCC1 330698895 FITCGPOTYORDIU-ZDUSSCGKSA-N 278.352 2.605 30 50 CFEA CC1(C)C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CO1 597862733 ACZSXWZZAPGKMX-AWEZNQCLSA-N 284.359 2.539 30 50 CFEA CCOc1ccccc1OCC#CCN1CCCCC1 16624136 OSTPAIZIKUHHNU-UHFFFAOYSA-N 273.376 2.953 30 50 CFEA CC(C)(C)OC(=O)N1CCC(C2(C#N)CCOCC2)CC1 1875391507 JITFUYRFGBSJKY-UHFFFAOYSA-N 294.395 2.954 30 50 CFEA CC1=C(Nc2ccc(C3=NNC(=O)C[C@@H]3C)cc2)CCC1=O 10961 DSRIICXPBQXOKK-JTQLQIEISA-N 297.358 2.596 30 50 CFEA C=CCc1cc(C)ccc1OCCCNCCN(C)C 20418751 VAQSUWBBUBUWMG-UHFFFAOYSA-N 276.424 2.644 30 50 CFEA CC#CC(=O)NC[C@H](CCCOC)c1ccc(Cl)cc1 286272666 IFEBXBCFSPHSES-AWEZNQCLSA-N 293.794 2.990 30 50 CFEA N#Cc1cccc(N2CCN(Cc3ccccc3)CC2)c1 84858447 FTZFSWIYQNWLJS-UHFFFAOYSA-N 277.371 2.880 30 50 CFEA N#Cc1cccc(CN2CCC[C@@](CO)(CC3CC3)C2)c1 91636466 QZXXMXWJJWJULH-GOSISDBHSA-N 284.403 2.933 30 50 CFEA N#Cc1ccc2ccn(CC(=O)NCc3ccccc3)c2c1 382791 WUOFHEMNQXYJIG-UHFFFAOYSA-N 289.338 2.829 30 50 CFEA aggregator N#Cc1c(N)c(I)cc(Cl)c1F 15443839 SHKGZYTZNRSZAQ-UHFFFAOYSA-N 296.470 2.538 30 50 CFEA CCc1ccccc1N/C(N)=N/c1nc(C)cc(C)n1 18081437 MNXHLAITEKXHPP-UHFFFAOYSA-N 269.352 2.714 30 50 CFEA CC1(C)OB(/C=C/CO[C@H]2CCCCO2)OC1(C)C 169743643 MHSOBXCZCRNELG-CRALRDPISA-N 268.162 2.717 30 50 CFEA CCc1ncc(/C(O)=N/C[C@H]2CCO[C@@H]2C(C)(C)C)[nH]1 328608815 BIRSDYGQJKEUDH-MFKMUULPSA-N 279.384 2.728 30 50 CFEA FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H]1CO1 2584315 QHHCBVYZWRKFLZ-REOHCLBHSA-N 262.071 2.853 30 50 CFEA in-vitro N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CC[C@@H](O)CC1 1775985304 MWACSEYAUAPCRP-HLLBOEOZSA-N 270.376 2.829 30 50 CFEA N#Cc1cc(-c2cccc(C(F)(F)F)c2)c[nH]c1=O 169668 AOABLFTVNRQPOX-UHFFFAOYSA-N 264.206 2.932 30 50 CFEA C#Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 237459 SQTWMXVGAYKHHC-UHFFFAOYSA-N 251.285 2.929 30 50 CFEA Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)C[n+]1ccccc1 4831573 SLTFFPUZIOYWOB-UHFFFAOYSA-N 285.323 2.690 30 50 CFEA COc1cccc(C(=O)Nc2ccccc2C#N)c1OC 6726889 VTEJSJMFOKNPHW-UHFFFAOYSA-N 282.299 2.828 30 50 CFEA CCc1nc(CC/N=C(/O)C[C@@H]2CCOC2)cs1 329724113 BMBPZOTVPDNMLP-JTQLQIEISA-N 268.382 2.631 30 50 CFEA CN(CC[C@@H](O)c1ccccc1)Cc1cc(C#N)ccn1 299760323 PWRUHCSILMWACS-QGZVFWFLSA-N 281.359 2.509 30 50 CFEA CN(C)c1ccc(-c2noc(C3(C#N)CCCCC3)n2)cn1 273754867 NXESAUNIMPSNTL-UHFFFAOYSA-N 297.362 2.923 30 50 CFEA C=C(CN1CCO[C@@H](c2cccc(OC(F)F)c2)C1)OC 170607507 DTVMQZVYCWPWJD-CQSZACIVSA-N 299.317 2.821 30 50 CFEA C=CCN1CCC(NC(=O)N(CC2CCC2)C(C)C)CC1 193626569 VXXHQTQIXHEQBK-UHFFFAOYSA-N 293.455 2.857 30 50 CFEA N/C(=N\OC(=O)Cc1ccccc1)c1ccccc1Cl 13497306 GWUGZOZPXGRRLD-UHFFFAOYSA-N 288.734 2.746 30 50 CFEA CC(C)C(Cn1cc([N+](=O)[O-])c(C#N)n1)C(C)C 1776000235 CVEBOLWFEXGNEO-UHFFFAOYSA-N 250.302 2.591 30 50 CFEA N#Cc1ccccc1NC(=O)COc1ccccc1 187145 DLWZKYLWTVTHES-UHFFFAOYSA-N 252.273 2.576 30 50 CFEA Cc1cc(NCCN(C)C)n2c(nc3ccccc32)c1C#N 357695 SRGLNWWJCXLIBC-UHFFFAOYSA-N 293.374 2.641 30 50 CFEA O=C1C(Br)=CC(=NCl)C=C1Br 1555587 JYWKEVKEKOTYEX-UHFFFAOYSA-N 299.349 2.722 30 50 CFEA CSc1c(C#N)c(N)c(C#N)c2c1COC(C)(C)C2 2860726 NJKZCXYFHAJAGU-UHFFFAOYSA-N 273.361 2.585 30 50 CFEA O=C(C[n+]1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 3129734 YJSFYRAAFFFXSY-UHFFFAOYSA-N 293.302 2.918 30 50 CFEA N#CCCCn1cnc2sc3c(c2c1=O)CCCC3 6743440 RDYFKGVKSZIXQL-UHFFFAOYSA-N 273.361 2.641 30 50 CFEA C#CCOc1ccc(C(=O)N2CCCCCC2)cc1 8570482 IMXVRGRDKBTBQQ-UHFFFAOYSA-N 257.333 2.715 30 50 CFEA C[C@H](Oc1cccc(/C=C/c2ccncc2C#N)c1)C(=O)O 349102474 APVQYITXHYIPCE-FYJFLYSWSA-N 294.310 2.976 30 50 CFEA N#Cc1ccc(-c2cccc(C(F)(F)F)c2)[nH]c1=O 3128322 WVAXMXRMJCBWAK-UHFFFAOYSA-N 264.206 2.932 30 50 CFEA in-vitro C=CC[C@@]1(CO)CCCN(Cc2ccccc2C(=O)O)C1 92107131 HRDSSFYTWMFYAK-QGZVFWFLSA-N 289.375 2.535 30 50 CFEA CCOC(=O)c1ccc(NC(=O)ON=C(C)Cl)cc1 245256528 QNQRLCBGFLVRLN-UHFFFAOYSA-N 284.699 2.984 30 50 CFEA O=C(O)c1cc(/C=C2\Oc3ccccc3C2=O)ccc1O 169080566 DCEVWNFKHNVAEK-ZSOIEALJSA-N 282.251 2.707 30 50 CFEA CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccoc1)c1ccccc1 191820805 KGRCIRULSQSBSV-LSDHHAIUSA-N 296.326 2.870 30 50 CFEA Cc1ccnc(N2C[C@H](O)C[C@H]2c2cccc(F)c2)c1C#N 253623548 YXFOKOZSGUCRRV-ZBFHGGJFSA-N 297.333 2.713 30 50 CFEA C=CC[C@@H]1CCC[C@H]1NC(=O)/C=C/c1ccc(C(=O)O)o1 1875270621 MHFBNUXOKPTGNW-NOTXVMONSA-N 289.331 2.852 30 50 CFEA CCO[C@@]1(c2nnc(-c3ccc(C#N)cc3C)o2)CCOC1 886082280 SBRIAGYFBZDOMD-INIZCTEOSA-N 299.330 2.569 30 50 CFEA CCOC(=O)[C@H](C#N)C(=S)Nc1ccc(OCC)cc1 390959 DOVVRNHPJOAENT-GFCCVEGCSA-N 292.360 2.527 30 50 CFEA C=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1 2473070 FBQVQNDTCIECFC-GJZGRUSLSA-N 284.359 2.510 30 50 CFEA C=CCOc1cc(Br)c(CO)cc1OC 2838079 VKOKXSLJYZYHSH-UHFFFAOYSA-N 273.126 2.515 30 50 CFEA C=CCN(Cc1ccc(C(=O)N(C)C)[nH]1)c1ccccc1 191971811 LCFABCLHVNPBRH-UHFFFAOYSA-N 283.375 2.909 30 50 CFEA C=CCC[C@@H](NCc1cnn(C)c1C)[C@@]1(C)CCCO1 1616040728 DBIDTJBTRMOVJT-HZPDHXFCSA-N 277.412 2.722 30 50 CFEA C#CCCC1(CCC(=O)N[C@H]2CCOc3ccccc32)N=N1 952882311 UILUHCZGEKHDAL-AWEZNQCLSA-N 297.358 2.982 30 50 CFEA Cc1nc(N2CCC[C@@H](CCO)CC2)c(Cl)cc1C#N 591465535 FQQZBFKYGZAQSA-GFCCVEGCSA-N 293.798 2.904 30 50 CFEA CSC1CCC(CN=C2NC[C@@H]3CC[C@H](C)CN23)CC1 2325863246 BIYKKPJOPIRKDK-LQULJDIASA-N 295.496 2.968 30 50 CFEA Cc1nn([C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1C#N 225544666 SWOOITJEDWSWCO-VIFPVBQESA-N 290.273 2.541 30 50 CFEA CCC[C@@H](NC(=O)c1cccc(C#N)c1)c1nccn1C 67641487 WKBGSJTVQAZKEU-CQSZACIVSA-N 282.347 2.563 30 50 CFEA C#C[C@H](C)N(C)C(=O)c1cc(C)cc2c(C)ccnc12 252488542 IUNGMQZXJPLARY-ZDUSSCGKSA-N 266.344 2.945 30 50 CFEA CN(Cc1ccccc1C#N)C[C@H]1CC(=O)N(C(C)(C)C)C1 215476623 ZRAYGNWTUDMANS-CQSZACIVSA-N 299.418 2.637 30 50 CFEA N#CC1(c2ccc(-c3nc(-c4ccon4)no3)cc2)CC1 357377792 PPIUXEHOMUPITC-UHFFFAOYSA-N 278.271 2.947 30 50 CFEA CC[C@H](C)c1ccccc1OCC(O)=Nn1cncn1 328591910 TUQOXMKQHRDODL-NSHDSACASA-N 274.324 2.590 30 50 CFEA CO/N=C1\C[C@@H]2[C@H]3[C@H]1[C@@H]1C=C[C@@H]4[C@H]5/C(=N/OC)C[C@H]2[C@@H]5[C@H]3[C@H]41 257346505 NEQASLFCPZMGNJ-YXOADPRJSA-N 298.386 2.571 30 50 CFEA CC1(C)OB(c2cccc(C(F)(F)F)c2O)OC1(C)C 169956145 BWUQMVGZBPQGOY-UHFFFAOYSA-N 288.074 2.710 30 50 CFEA CC(C)(C)OC(=O)[C@@H](C#N)c1ccc(Br)cn1 71791004 PGJMVMLMMGJZLZ-VIFPVBQESA-N 297.152 2.793 30 50 CFEA in-vitro C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)[C@H]2CCCC[C@@H]12 273103191 UZCDJXBKFGBKRT-OSMZGAPFSA-N 257.337 2.537 30 50 CFEA N#CC1(COC(=O)c2cc(O)nc3cc(F)ccc23)CC1 775860573 XHBJCPXVFIIANO-UHFFFAOYSA-N 286.262 2.540 30 50 CFEA COC(=O)C[C@@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 201637036 DLYXGJDLUDBFPW-LLVKDONJSA-N 280.173 2.907 30 50 CFEA in-vitro COc1ccc([C@H]2CC(=O)C=C(NC3CC3)C2)cc1 5102736 VWPUMBMNEUEYCH-GFCCVEGCSA-N 257.333 2.778 30 50 CFEA CC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1Cl 5523421 CYEJCMAAAMMALG-LLVKDONJSA-N 263.724 2.807 30 50 CFEA COc1ccc(C#N)cc1-c1ccc([C@@H]2CNC(=O)C2)cc1 1875240317 QUGCXKBEXORQLP-HNNXBMFYSA-N 292.338 2.837 30 50 CFEA C=CCn1c(S)nnc1COc1ccc(C)c(C)c1 2526659 NLAXDVPFTGDESH-UHFFFAOYSA-N 275.377 2.949 30 50 CFEA in-vitro C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 41957 MIXFDFCKBMCLGN-DTQAZKPQSA-N 288.372 2.698 30 50 CFEA CCCCCCCCOCC12COC[N+]1(C)COC2 3131638 WVVTWVABTIPWDU-UHFFFAOYSA-N 272.409 2.524 30 50 CFEA COc1ccccc1N1CCN(/N=C\c2ccc(C)o2)CC1 4892947 MUTUTOHYENDNAB-AQTBWJFISA-N 299.374 2.753 30 50 CFEA COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C#N 6701214 LMOXOTHPCHKUSH-GFCCVEGCSA-N 296.326 2.973 30 50 CFEA N#Cc1c(N)sc2c1CCN(CCc1ccccc1)C2 258949 NEZXGGXPFJZLFK-UHFFFAOYSA-N 283.400 2.803 30 50 CFEA N=C(O)C/N=C(/O)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 328606737 SRMDBMJLZSKEEN-HZMBPMFUSA-N 294.738 2.872 30 50 CFEA C=C(C)C[C@H](C)C(=O)NCCc1cn2c(C)cccc2n1 585089687 FUTCBGIGKOOHII-ZDUSSCGKSA-N 285.391 2.904 30 50 CFEA CC(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 203587273 BVYVWKIIVJNFLU-UHFFFAOYSA-N 280.148 2.912 30 50 CFEA O/C(=N/C[C@H]1CCO[C@@H]1c1ccccc1)c1cocn1 328608650 AVBVRTSLBIPNRD-TZMCWYRMSA-N 272.304 2.757 30 50 CFEA CCOC(=O)c1c(NC(=O)CC#N)sc2c1CCCC2 64987 XSGAVIASOGNJDJ-UHFFFAOYSA-N 292.360 2.656 30 50 CFEA C#C[C@@](O)(Cc1ccc(OC)cc1)c1ccc(OC)cc1 402126 DTIKVCDPRYGIFI-GOSISDBHSA-N 282.339 2.767 30 50 CFEA CC1(C)CC(=O)C=C(NNC(=S)Nc2ccccc2)C1 100662255 RCNXYULRTXAPRC-UHFFFAOYSA-N 289.404 2.751 30 50 CFEA CC1(C)OB(CC(=O)c2ccccc2[N+](=O)[O-])OC1(C)C 170005866 GYEMQRAXJOBAGD-UHFFFAOYSA-N 291.112 2.870 30 50 CFEA CCOc1c(Cl)cc(N)cc1B1OC(C)(C)C(C)(C)O1 170006402 DFCBLIMMUUMYSE-UHFFFAOYSA-N 297.591 2.620 30 50 CFEA COc1ccnc(Oc2ccc(NC(C)=O)cc2)c1C#N 1398104 UQMZDKTVZUMMHQ-UHFFFAOYSA-N 283.287 2.713 30 50 CFEA COc1ccc(N/C(=N/O)c2cccc([N+](=O)[O-])c2)cc1 4357402 MLSNGUJMPCHUJV-UHFFFAOYSA-N 287.275 2.851 30 50 CFEA C#CCCCCNC(=O)Nc1ccnc(C)c1Cl 160024015 CEAHTSTWYCLGGM-UHFFFAOYSA-N 265.744 2.968 30 50 CFEA N/C(=N\c1ccc(Br)cn1)c1ccccc1 245197900 DPLJWHZMPCPALX-UHFFFAOYSA-N 276.137 2.881 30 50 CFEA C=CCc1cccc(F)c1OCc1nnn(C(C)(C)C)n1 655690858 PMJNVCZAMHADNU-UHFFFAOYSA-N 290.342 2.875 30 50 CFEA COc1cnc2cccc(B3OC(C)(C)C(C)(C)O3)c2c1 169747178 MGEKTRDPBDREKY-UHFFFAOYSA-N 285.152 2.543 30 50 CFEA CCn1cc(CN2CCCC[C@H]2CCN(C)C)cc1C#N 77517120 FWNSVLAFYCVQFV-INIZCTEOSA-N 288.439 2.686 30 50 CFEA N#C[C@H]1CSCCN1C(=O)CC1CCC(F)(F)CC1 599734586 AFEUGTXOJKEQOH-NSHDSACASA-N 288.363 2.670 30 50 CFEA C=CCNCC[C@@H]1CCC(=O)N1Cc1cc(F)cc(F)c1 12100249 FIJZNUHSSMFQRD-HNNXBMFYSA-N 294.345 2.622 30 50 CFEA CCN1CCNC1=NCCc1ccc2ccccc2c1 2325771425 PGUFXCSRXCYVGO-UHFFFAOYSA-N 267.376 2.663 30 50 CFEA COc1ccc(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 514311 JXUXHBJKNRFFMZ-GFCCVEGCSA-N 296.326 2.973 30 50 CFEA O/C(=N/C[C@H]1CCO[C@@H]1c1ccccc1)c1ccnc(O)c1 328613618 SUJJPWFLJFGYMS-GDBMZVCRSA-N 298.342 2.870 30 50 CFEA CC[C@@H](CC(F)(F)F)/N=C(/O)c1csnn1 330864409 NEZKFOBYRONNDG-YFKPBYRVSA-N 253.249 2.574 30 50 CFEA CC(C)(C)OC(=O)N1CCC[C@]1(C#N)C(F)(F)F 616582086 AUFPHIFJLZFZIZ-JTQLQIEISA-N 264.247 2.842 30 50 CFEA C=C(C)COc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1N 952961710 XLUYMGLYDWCQTF-GFOFROLCSA-N 298.386 2.729 30 50 CFEA Cc1ccccc1NC1(CNC(=O)CC#N)CCCC1 408523638 UKGOTTIKIFRURO-UHFFFAOYSA-N 271.364 2.750 30 50 CFEA CC[C@H](CC#N)NS(=O)(=O)c1ccc(C)cc1Cl 186438581 KLNAIYDJBHWHPS-SNVBAGLBSA-N 286.784 2.619 30 50 CFEA N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2nc(S)oc2c1 170651932 KIPGVIAUGOCAOT-UWVGGRQHSA-N 287.344 2.539 30 50 CFEA CC(C)(C)[C@H]1OCC[C@@H]1CNc1ncccc1C#N 189139459 DDPRELVHRXLCNE-OLZOCXBDSA-N 259.353 2.816 30 50 CFEA N#Cc1ccc(C2(C(=O)Nc3ccncc3F)CC2)cc1 189641360 SGSQMFVAHDQDDQ-UHFFFAOYSA-N 281.290 2.763 30 50 CFEA COC[C@@H](CNc1cc(C(F)(F)F)ccc1C#N)OC 1616034698 RWGRPGBJNGBHIY-LLVKDONJSA-N 288.269 2.650 30 50 CFEA COc1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 205030099 RPYFIPSPOFJYKH-UHFFFAOYSA-N 286.539 2.787 30 50 CFEA CNC(=O)/C(=N/OC)c1ccccc1Oc1ccccc1 5700325 HIIRDDUVRXCDBN-OBGWFSINSA-N 284.315 2.575 30 50 CFEA in-vitro C1CCC(/N=C(/NC2CCCCC2)N2CCOCC2)CC1 4528563 OZNYZQOTXQSUJM-UHFFFAOYSA-N 293.455 2.930 30 50 CFEA in-vitro Clc1ccc([C@@H]2CNC(=NCc3ccoc3)N2)cc1 2325864400 NMJOGIYTGWWBFZ-ZDUSSCGKSA-N 275.739 2.723 30 50 CFEA COc1ccccc1/C=C/C(=O)c1c(C)cc(C)[nH]c1=O 3997235 NFEXZNRXFDTIBV-CMDGGOBGSA-N 283.327 2.896 30 50 CFEA C=CCn1cnc2c(NCc3ccccc3)ncnc21 1069718 MDTPBXATQAZYAC-UHFFFAOYSA-N 265.320 2.624 30 50 CFEA biogenic CN(Cc1ccc(F)cc1C#N)C[C@@H]1CCc2nccn2C1 328643521 RIKVHQDZIGXHJJ-ZDUSSCGKSA-N 298.365 2.588 30 50 CFEA C#Cc1cccc(Nc2ncnc3cc(OC)c(N)cc23)c1 71261187 GXTDIHSVUDHDCI-UHFFFAOYSA-N 290.326 2.946 30 50 CFEA COC(=O)c1cc(-c2ccc(Cl)cc2)nc(O)c1C#N 328579110 RVVXSZJSGNWMJY-UHFFFAOYSA-N 288.690 2.766 30 50 CFEA CC1(C)OB(c2cc(O)c(Cl)cc2Cl)OC1(C)C 169936386 VMORPTCOJVWIHG-UHFFFAOYSA-N 288.967 2.998 30 50 CFEA in-vitro Cc1c(CN(C)[C@@H](C)c2ccncc2)cc(C#N)n1C 195561898 UMVRUUJIYIOKMN-LBPRGKRZSA-N 268.364 2.793 30 50 CFEA N#CCn1c(C(=O)N2CC[C@@H]3C[C@@H]3C2)cc2ccccc21 598331181 PRMKXNCODACEQG-TZMCWYRMSA-N 279.343 2.647 30 50 CFEA CC(C)(C)OC(=O)N1CC[C@@H]1c1noc(C(C)(C)C#N)n1 1615548259 CQVWXCMTJJEDMO-SECBINFHSA-N 292.339 2.553 30 50 CFEA CS(=O)(=O)OCCCc1cccc(C(F)(F)F)c1 116572548 UUMKCYVXQLVAHM-UHFFFAOYSA-N 282.283 2.614 30 50 CFEA in-vitro CCOCc1ccc(Nc2cnc(C#N)cn2)cc1 126015003 QESSGRJUVDRQBN-UHFFFAOYSA-N 254.293 2.628 30 50 CFEA C#CCCC1(CCC(=O)N2CC[C@@H](C3CCC3)C2)N=N1 952883574 VEQOATIKROEBLF-CQSZACIVSA-N 273.380 2.991 30 50 CFEA c1ccc(C/N=C2/NCCN2Cc2ccccc2)cc1 168638833 UDTIJQDUEHVVDZ-UHFFFAOYSA-N 265.360 2.648 30 50 CFEA N#Cc1c(F)cccc1N1CCO[C@@H](c2nccs2)C1 263652221 BYCYUERQRAWYPL-CYBMUJFWSA-N 289.335 2.732 30 50 CFEA Cc1csc(CCCNC(=O)c2ccccc2C#N)n1 223840659 ZTRPLHZHCAKWDK-UHFFFAOYSA-N 285.372 2.686 30 50 CFEA C=CCCCC(=O)[C@H]1C(=O)OC[C@@H]1Cc1ccccc1 43763658 NNMPPZSYZBXMHA-HOCLYGCPSA-N 272.344 2.944 30 50 CFEA CC[C@H](CC#N)NS(=O)(=O)c1cc(C)ccc1Cl 186427746 CVGNMXXQDNZSFJ-SNVBAGLBSA-N 286.784 2.619 30 50 CFEA Cc1nocc1Cc1noc(C2(C#N)CCCCC2)n1 585120431 NKERTHXUQXJFMD-UHFFFAOYSA-N 272.308 2.682 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N1c2ccccc2C[C@H]1CO 585126547 BSCFLJXXTANZGB-OCCSQVGLSA-N 259.349 2.539 30 50 CFEA C=C(C)CN(CC)Cc1nc(-c2ccccn2)no1 12459201 LSVJDCXSDWAFNH-UHFFFAOYSA-N 258.325 2.530 30 50 CFEA N#Cc1ccc(N2CC(F)(F)C2)c(Br)c1 169725867 ALLQCWRWQVHACF-UHFFFAOYSA-N 273.080 2.776 30 50 CFEA CC(=O)O[C@@H](C#CCN1CCCCC1)c1ccccc1 208190 XLAGGAYJSNRXAW-KRWDZBQOSA-N 271.360 2.780 30 50 CFEA Cc1cc(-c2ccc(CCN)cc2)nc(C)c1C#N 2356167781 BPXHYTAQXFUTNB-UHFFFAOYSA-N 251.333 2.738 30 50 CFEA N#Cc1cc2c(nc1NC(=O)[C@H]1C[C@@H]1C1CC1)CCCC2 121881512 GTVOOMULPGNAPD-KGLIPLIRSA-N 281.359 2.817 30 50 CFEA Cc1ccoc1C(=O)NCC#Cc1cccc(F)c1 241969498 UWQZSWVMODKIQW-UHFFFAOYSA-N 257.264 2.509 30 50 CFEA C[C@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H](C2CC2)O1 408522517 AQYUKUHEOJIJBH-OIBJUYFYSA-N 283.784 2.672 30 50 CFEA CCC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169935978 PMZSAVWIHAXJTH-UHFFFAOYSA-N 260.142 2.579 30 50 CFEA in-vitro N#Cc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F 139835897 LCPWJQRZOHAMOZ-UHFFFAOYSA-N 279.274 2.525 30 50 CFEA in-vitro N#Cc1c(N)sc2c1CCN(Cc1ccccc1)C2 19595319 BWNBNBHFRHCKTK-UHFFFAOYSA-N 269.373 2.760 30 50 CFEA in-vitro Cc1cnn([C@H]2CCCN(c3nc(C)ccc3C#N)C2)c1 161298406 BPQLWRQHLILMFG-HNNXBMFYSA-N 281.363 2.608 30 50 CFEA N#Cc1cncc(C(=O)N2CC[C@H](c3ccccc3)C2)c1 1875336773 MIIGOIRJAQKIIL-HNNXBMFYSA-N 277.327 2.583 30 50 CFEA CC(C)C[N@@]1C[C@@H]1COc1cnc2ccc(C#N)cc2c1 1875379926 ZRRJCVOYRWNLDB-QRWLVFNGSA-N 281.359 2.825 30 50 CFEA Cc1ccccc1C(F)(F)C(=O)NCC1(C#N)CC1 1321278969 VLHCYJKUKZTSPY-UHFFFAOYSA-N 264.275 2.507 30 50 CFEA C#CCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1 685965961 ZQWRDUVGHBGHPV-UHFFFAOYSA-N 280.279 2.628 30 50 CFEA C=CCN(Cc1ccccc1OC)C[C@H]1CCOC1 952961218 YSAGWRRDFLTWEF-CQSZACIVSA-N 261.365 2.720 30 50 CFEA Cc1nc(Cl)cc(N[C@@H]2CCCC[C@H]2C#N)n1 585098857 JVHDQNRLBXALGH-VHSXEESVSA-N 250.733 2.933 30 50 CFEA C#CCOc1ccc(C(=O)Nc2ccc(O)cc2F)cc1 170593595 DIPSIEJZDIGZRB-UHFFFAOYSA-N 285.274 2.796 30 50 CFEA Cc1cc(C)n2nc(SCC(C)(C)CC#N)nc2n1 408523628 UIPVEZWBGGBCKV-UHFFFAOYSA-N 275.381 2.773 30 50 CFEA C=CCN(CC=C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 284789 MWHPQTRLIZQEKW-UHFFFAOYSA-N 260.293 2.717 30 50 CFEA C=CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1 2473067 FBQVQNDTCIECFC-HUUCEWRRSA-N 284.359 2.510 30 50 CFEA C#CC(CC)(CC)NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)O 6699017 RJFHPWBXNBLSSA-KGLIPLIRSA-N 291.391 2.742 30 50 CFEA C=C(C)CN(CC)C1CCN(C(=O)OCC)CC1 757865 GKFVPVKQDSDDBQ-UHFFFAOYSA-N 254.374 2.505 30 50 CFEA C=CC[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 35571493 JSILKJJKWZCJME-AWEZNQCLSA-N 269.341 2.664 30 50 CFEA Cc1cscc1N/C(O)=N/[C@@H]1CCn2ccnc2C1 330234432 GJYCNTUAEGPHKZ-SNVBAGLBSA-N 276.365 2.594 30 50 CFEA C[C@H]1CCN(C(=O)/C=C/c2cccc(C#N)c2)[C@@H]1C 178148320 NKMLRVOMFZJKBE-VFZNBBLXSA-N 254.333 2.828 30 50 CFEA Cc1ccc(N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)nc1C#N 253395781 HEKFGEPZUNQQGD-BMFZPTHFSA-N 285.391 2.782 30 50 CFEA C#CCCC1(CCC(=O)NC2(c3ccncc3)CCC2)N=N1 952883812 XOUOZXTXCOIWHV-UHFFFAOYSA-N 296.374 2.933 30 50 CFEA CCCCCCCOc1ccc(S(N)(=O)=O)cc1 59103405 OGNIZIBRBQLCSI-UHFFFAOYSA-N 271.382 2.683 30 50 CFEA CCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1 4813277 LXUUHLLCGWVLBF-CQSZACIVSA-N 273.332 2.771 30 50 CFEA C=CCOc1cccc(NC(=O)c2ccncc2)c1 8904968 FLKPVGHXJMUEBB-UHFFFAOYSA-N 254.289 2.899 30 50 CFEA N#Cc1ccc(N2CCC=C(c3ccncc3)C2)cn1 343945807 GKCBTIQSBOTOAJ-UHFFFAOYSA-N 262.316 2.642 30 50 CFEA C[C@@H](CNc1cc(C#N)ccc1C(F)(F)F)[S@@](C)=O 128306413 CHFRRTITTRVKTD-RLBGWGEZSA-N 290.310 2.756 30 50 CFEA CCn1c(CC#N)nc2c(Cl)ncc(Br)c21 38540314 YESNUCZJCVFCOF-UHFFFAOYSA-N 299.559 2.933 30 50 CFEA C=CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2C 72119367 RSRSXYLOKGZDCW-CYBMUJFWSA-N 297.358 2.767 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1C[C@@H](CO)Cc2cccc(F)c21 585126590 CIKJZCKKEDHAIK-STQMWFEESA-N 291.366 2.926 30 50 CFEA Cc1cc(/C=N/NC(N)=S)c(C)n1C1CCCCC1 447489 SATHLIJQANVKDR-CXUHLZMHSA-N 278.425 2.777 30 50 CFEA CC1(C)OB(c2cnc(Nc3ccccc3)nc2)OC1(C)C 169904995 YKACPQCEDUAEEH-UHFFFAOYSA-N 297.167 2.519 30 50 CFEA CC1(C)Cc2ccccc2C(=C2C(=O)CCCC2=O)N1 100074270 WDKOYVTVEIJEMI-UHFFFAOYSA-N 269.344 2.644 30 50 CFEA C=CCn1c(N)c(C(=O)NCc2ccco2)sc1=S 203972 HCUWAEMBWDLZKW-UHFFFAOYSA-N 295.389 2.570 30 50 CFEA Cc1oc(-c2ccccc2)nc1CCCOS(C)(=O)=O 148169404 RKZMAHQBTQKIBE-UHFFFAOYSA-N 295.360 2.559 30 50 CFEA C=C[C@@](C)(CC)C(=O)Nc1n[nH]cc1Br 298397637 NDSKZJNAZJUOKE-JTQLQIEISA-N 272.146 2.713 30 50 CFEA N#CC1(c2ccccc2)CCN(C(=O)[C@@H]2CCCCO2)CC1 97547862 JMFLNHAOYUKJOV-INIZCTEOSA-N 298.386 2.639 30 50 CFEA N#Cc1cccc(NCc2cccc(Cn3cccn3)c2)n1 301270313 JQWPGNCWMYHZLE-UHFFFAOYSA-N 289.342 2.810 30 50 CFEA COC(=O)c1c(C#C[Si](C)(C)C)ccnc1Cl 169794040 YXAFNLLWRMATGC-UHFFFAOYSA-N 267.788 2.751 30 50 CFEA in-vitro C=CCC[C@@H](NCc1cnn(C)c1C)[C@]1(C)CCCO1 1616040723 DBIDTJBTRMOVJT-CVEARBPZSA-N 277.412 2.722 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1Cc1ccc(Cl)cc1 12190869 MQCFVLQWLHDQSN-OAHLLOKOSA-N 292.810 2.997 30 50 CFEA C=CCn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 154685 UKPPBIMAPSKSJV-SECBINFHSA-N 260.362 2.769 30 50 CFEA COc1ccc(C(=O)[C@H]2O[C@H]2c2ccc3c(c2)OCO3)cc1 2519715 DHDKPIIJDRSEOK-DLBZAZTESA-N 298.294 2.747 30 50 CFEA Cc1ccc2[nH]c3c(c2c1)CCc1[nH]c(=O)c(C#N)cc1-3 3683907 JFRNDHLRVAYPEK-UHFFFAOYSA-N 275.311 2.802 30 50 CFEA COc1ccccc1NC(=O)/C(O)=C/C(=O)c1ccccc1 100763978 RPYFKUNJJXTMKJ-PTNGSMBKSA-N 297.310 2.959 30 50 CFEA CCOc1ccc(/C=C2\C(=O)C3CCN2CC3)cc1 32513708 ZVMSOKAAHJOQQF-RVDMUPIBSA-N 257.333 2.721 30 50 CFEA CC1(C)[C@@H]2CN(C(=O)/C=C/c3cccc(C#N)c3)C[C@H]21 174096176 WWMWSBZODPXBNE-WLBISTCBSA-N 266.344 2.686 30 50 CFEA CC(C)(C)OC(=O)Nc1cccc2c1N(CC#N)CC2 274831449 AUWVOTZVUPBTKI-UHFFFAOYSA-N 273.336 2.920 30 50 CFEA Cc1nc2ccccc2n1CCNc1ncccc1C#N 170101880 SPFONQIKCHPFNS-UHFFFAOYSA-N 277.331 2.724 30 50 CFEA CC(C)(C)OC(=O)[C@@H]1CCCCN1c1ccc(C#N)cn1 1616037981 RJMURKLOOSGYRB-ZDUSSCGKSA-N 287.363 2.654 30 50 CFEA N#Cc1cc(C(=O)N2CC[C@@H]2c2ccccc2F)c[nH]1 360435264 DULLPXYSBZPIJB-CQSZACIVSA-N 269.279 2.613 30 50 CFEA O=C1C2=C(NC(=S)N[C@H]2c2ccccc2)c2ccccc21 2365332 BGQSZBPWPOXQTF-AWEZNQCLSA-N 292.363 2.813 30 50 CFEA biogenic C[C@@H]1/C=C\C=C/[C@@H]2[C@H](/C=C\1)C(C#N)(C#N)C2(C#N)C#N 101137912 VROSBNGGMQNCCD-QHBRCROVSA-N 260.300 2.618 30 50 CFEA O=C(/C=C/c1cnc2ccccn12)c1csc(C(=O)O)c1 119139857 XSRLBEGFYDQQEW-SNAWJCMRSA-N 298.323 2.990 30 50 CFEA CC(C)(C)[C@H]1CN(C(=O)c2cscc2C#N)CCO1 334441161 ZDPQLEKMVFCVDX-GFCCVEGCSA-N 278.377 2.507 30 50 CFEA Cc1ccnc(N2C[C@H](O)C[C@H]2c2ccc(F)cc2)c1C#N 343280364 LTAFEEIJYGVTER-ZBFHGGJFSA-N 297.333 2.713 30 50 CFEA CN(C)C(=O)c1ccc(-c2ccccc2C#N)cc1 85477063 HNEJRBSBVCTPJB-UHFFFAOYSA-N 250.301 2.927 30 50 CFEA in-vitro C=CCn1c(S)nnc1COc1ccc(Cl)cc1 5685796 DGUCHXFAQSKIJN-UHFFFAOYSA-N 281.768 2.985 30 50 CFEA in-vitro CC#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169816422 KTTLKZLZLWBQAM-UHFFFAOYSA-N 298.461 2.719 30 50 CFEA CC1(C)CCCN(Cc2ccc3c(c2)OCCO3)[C@@H]1C#N 225533463 MYJBYPOQMKCBNV-MRXNPFEDSA-N 286.375 2.972 30 50 CFEA CC#CC(=O)N[C@H]1CCCC[C@@H]1Oc1cccc(C)c1 801174962 BVQQXVJYSOCXFQ-HOTGVXAUSA-N 271.360 2.825 30 50 CFEA N#C[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 91616419 SSPSLRODWGHJMW-GFCCVEGCSA-N 272.323 2.619 30 50 CFEA CC1C[C@@H]2CC(=NNC(=S)NC(C)C)C[C@H]2C1 2325751007 SEVIYOFGIOIKHI-FHZGLPGMSA-N 253.415 2.671 30 50 CFEA C=CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CC(C)=NO1 55131258 OOLOTEPHBHOVFY-CQSZACIVSA-N 276.311 2.505 30 50 CFEA Oc1ccccc1/C=N/[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 245550357 OOYCAKQTKVZJBL-FWDAAWMGSA-N 257.333 2.769 30 50 CFEA CCN(CC)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 169746423 YWPHHGVOGGSELW-UHFFFAOYSA-N 289.228 2.828 30 50 CFEA in-vitro CCCOC(=O)CSc1nc(C)c(C)c(C)c1C#N 2217343 CXZZLXDEVTUZJK-UHFFFAOYSA-N 278.377 2.924 30 50 CFEA N#Cc1ccccc1Oc1cc(-c2ncccn2)ncn1 2325865052 KYVBUUXGSXJGFN-UHFFFAOYSA-N 275.271 2.598 30 50 CFEA CC(C)(C)[C@H](CO)Nc1ccc(C(F)(F)F)c(C#N)n1 253395112 MKFAEKJUPNXSLR-JTQLQIEISA-N 287.285 2.791 30 50 CFEA CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCc2nccn2C1 328646602 STAOSWVQYHYCFE-AWEZNQCLSA-N 298.365 2.588 30 50 CFEA C#C[C@@H](NC(=O)Nc1cnn(Cc2ccccc2)c1)C(C)C 253425828 WCLMLGQLEWICHL-MRXNPFEDSA-N 296.374 2.711 30 50 CFEA CN1Cc2ccccc2[C@H](NCc2cccc(C#N)c2)C1 372885848 WLNYQUKICCXPRP-GOSISDBHSA-N 277.371 2.835 30 50 CFEA CC1(C)OB(c2ccc(Cl)cc2F)OC1(C)C 169955824 HWHYSIMGKXYKDS-UHFFFAOYSA-N 256.513 2.778 30 50 CFEA in-vitro Cc1c(NC2=CC(=O)CCC2)c(=O)n(-c2ccccc2)n1C 13522135 YWEMEXNUXJGZIB-UHFFFAOYSA-N 297.358 2.533 30 50 CFEA CC(C)(C)CNC(=O)c1[nH]c2ccccc2c1C#N 1875270376 YOXZLEYMOUCQPI-UHFFFAOYSA-N 255.321 2.815 30 50 CFEA N#Cc1cccc(-n2cc(-c3cnccc3Cl)nn2)c1 2325818247 UZSTVKMTRGOTLN-UHFFFAOYSA-N 281.706 2.854 30 50 CFEA COCCCNc1oc(-c2cccc(C)c2)nc1C#N 2376560 JSZCFXBCEFQBHL-UHFFFAOYSA-N 271.320 2.970 30 50 CFEA N#Cc1cnn2c(-c3cccc(OC(F)F)c3)ccnc12 2787864 KSYDPFZJVKPQKH-UHFFFAOYSA-N 286.241 2.869 30 50 CFEA CCOc1ccccc1/C=C1\C(=O)C2CCN1CC2 32547867 MBQONTZQPLXHPB-SDNWHVSQSA-N 257.333 2.721 30 50 CFEA N#Cc1cc(-c2cnc(C(=O)O)nc2)ccc1C1CC1 675069174 COIGJDYRBCOVAF-UHFFFAOYSA-N 265.272 2.591 30 50 CFEA CC1(C)OB(c2ccc(OC(F)F)cc2)OC1(C)C 169747385 BPFSJXBWEVRJFH-UHFFFAOYSA-N 270.084 2.587 30 50 CFEA in-vitro N#Cc1cc2c(nc1NC[C@H]1CSCCS1)CCC2 228283784 DXPPFGSSINLYCL-LBPRGKRZSA-N 291.445 2.702 30 50 CFEA C=CCSc1nnc2nc3[nH]c4c(C)cccc4c3nn12 13154124 CFKSJGAQSULBLG-UHFFFAOYSA-N 296.359 2.740 30 50 CFEA C=CCNc1ccccc1C(=O)N(C)Cc1nc(C)c[nH]1 55133636 FRUJCSOYNLPWPD-UHFFFAOYSA-N 284.363 2.588 30 50 CFEA Cn1nc(C(F)(F)F)c(C#N)c1Oc1ccc(C#N)cc1 3052732 PDLYKEAMCLPIFT-UHFFFAOYSA-N 292.220 2.975 30 50 CFEA C=CC[C@H](CC)NC(=O)Nc1nc(SC)ns1 281213834 AZFKVIRXTOXBET-ZETCQYMHSA-N 272.399 2.736 30 50 CFEA N#Cc1ccc(/C=C/c2cccc(OCCC(=O)O)c2)nc1 194596287 CPXCIRCXOPVSNP-GQCTYLIASA-N 294.310 2.977 30 50 CFEA CCC[C@H]1O[C@@]23CCCC[C@@H]2[C@@](C#N)(C(=N)O3)C1(C#N)C#N 169298636 QSYAOBUMIKSMLP-AVRGHOLYSA-N 298.346 2.623 30 50 CFEA COc1ccc(N/C=C\C(=O)c2cccnc2)cc1OC 4706691 LAGHDXQSBMJSTK-CLFYSBASSA-N 284.315 2.907 30 50 CFEA C=CCOc1cccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 4869200 DGKQNRUUMLOBCX-CHWSQXEVSA-N 275.348 2.501 30 50 CFEA CC1(C)OB(c2ccc3c(C4CC4)n[nH]c3c2)OC1(C)C 170007343 WJYQDWFSYYQFPF-UHFFFAOYSA-N 284.168 2.740 30 50 CFEA CO[C@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 378633272 MJDKINMZPGMFLD-FDMDGMSGSA-N 284.359 2.599 30 50 CFEA CC(C)n1nnc2cc(C#N)cc(Br)c21 95496091 GEPGOLFFQHICDX-UHFFFAOYSA-N 265.114 2.646 30 50 CFEA CC(C)C[C@H](C#N)NC(=O)c1ccc2nc(S)oc2c1 170632313 MNUGALKUEHKOPJ-SNVBAGLBSA-N 289.360 2.785 30 50 CFEA C=CC[C@@H](C(=O)Nc1nnc2n1CCCC2)c1ccccc1 187686122 GEZBDHUZZDPBIK-CQSZACIVSA-N 296.374 2.913 30 50 CFEA C[C@@H](Nc1ccc(C#N)c(Cl)c1)C1(S(C)(=O)=O)CC1 588072573 MAXUJALVIOJAME-SECBINFHSA-N 298.795 2.589 30 50 CFEA COCC[C@@H]1CCCCN(c2cccnc2C#N)C1 377982369 GORUMOIDPFJQLF-ZDUSSCGKSA-N 259.353 2.596 30 50 CFEA CC[C@]1(C#N)CCCN(c2ncnc3ccc(C)nc23)C1 1857698374 NXRMWRGRGLCHSB-MRXNPFEDSA-N 281.363 2.853 30 50 CFEA CCC(C#N)(CC)C(=O)N1CC[C@@H](c2ccco2)C1 599435510 WYZCAFHVXAQOCO-GFCCVEGCSA-N 260.337 2.925 30 50 CFEA C=CC[C@H]1C=CC[C@@H](CC=C)N1C(=O)CCC(=O)O 296326 WBXPWEDSQDDQSJ-QWHCGFSZSA-N 263.337 2.529 30 50 CFEA CCC/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4976068 IKGRHEWIFBFXPP-IZZDOVSWSA-N 252.230 2.701 30 50 CFEA CCCN(CC#Cc1ccccc1)C(=O)c1cccn1C 55393258 GCJVWJVYCUQMGU-UHFFFAOYSA-N 280.371 2.929 30 50 CFEA CCCCCCC[C@@H](C(=O)OCC)C(=O)C(=O)OCC 101015985 BLJRUVYCDGWNFY-GFCCVEGCSA-N 286.368 2.658 30 50 CFEA Cc1c([C@H]2OCC[C@@H]2/N=C(/O)[C@H]2C[C@@H]2C2CC2)cnn1C 329041816 IIMZIMKHLBBWRG-PAPYEOQZSA-N 289.379 2.561 30 50 CFEA CCCCC#Cc1ccc(NS(C)(=O)=O)cc1 3997443 JXGWBCYPTHCTDQ-UHFFFAOYSA-N 251.351 2.600 30 50 CFEA COc1ccc([C@@H](C#N)Nc2ccccc2N)cc1OC 4051508 VSQRPFQLKRCJNN-CQSZACIVSA-N 283.331 2.963 30 50 CFEA COc1ccc(OCc2ccc(C#N)c(C)c2)c(C(N)=O)c1 447296180 OTLCOIMUFBJHJA-UHFFFAOYSA-N 296.326 2.553 30 50 CFEA CCSCCNC(=O)Nc1ccc(C#N)cc1CC 95529667 AFNXQDJSDVWVSI-UHFFFAOYSA-N 277.393 2.995 30 50 CFEA C#CCCC1(CCC(=O)N[C@@H]2CCOc3ccccc32)N=N1 952882314 UILUHCZGEKHDAL-CQSZACIVSA-N 297.358 2.982 30 50 CFEA CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C=O)C1 1535643964 QNEYXVJYAYFOKG-LLVKDONJSA-N 253.342 2.613 30 50 CFEA C=CCn1c(SCCC(=O)O)nnc1-c1cccs1 2709012 HAMSTRAHMJNVOQ-UHFFFAOYSA-N 295.389 2.759 30 50 CFEA Cc1cc(=N[C@@H]2CCCc3c2c(C)nn3C)[nH]c(C)c1C#N 2356160296 LPJXOIOLWDFFRR-CQSZACIVSA-N 295.390 2.523 30 50 CFEA O=C(O)[C@@H](/N=C\c1ccccc1O)c1ccccc1 104211126 ARFOXNLXIVCEMA-FBKCMUNRSA-N 255.273 2.637 30 50 CFEA Cc1cc(C#N)cc(N2CCC[C@@](O)(C(F)(F)F)CC2)n1 314178332 QRGWKYUPTFGNFE-ZDUSSCGKSA-N 299.296 2.545 30 50 CFEA O=C(Nc1ccccc1)O/N=C/c1ccc2c(c1)OCO2 988883 NKHMDEDYRLXRBR-CXUHLZMHSA-N 284.271 2.998 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1Cc1cc(F)cc(F)c1 12100248 FIJZNUHSSMFQRD-OAHLLOKOSA-N 294.345 2.622 30 50 CFEA CCNCc1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 169956024 YLYBUPMJVZGLMR-UHFFFAOYSA-N 295.619 2.749 30 50 CFEA COc1ccc2c(c1)CCN(c1nc(C)cc(C#N)n1)[C@@H]2C 1875275953 UTERSUCGZATBBA-GFCCVEGCSA-N 294.358 2.789 30 50 CFEA CC1C[C@H]2CC(=NNC(=S)NC(C)C)C[C@@H]2C1 2325751006 SEVIYOFGIOIKHI-DVRYWGNFSA-N 253.415 2.671 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)C[C@H]1CCCCO1 328611274 LAHJQKGFSTZMQE-UMVBOHGHSA-N 269.385 2.963 30 50 CFEA C[C@H]1CN(Cc2cc(F)ccc2C#N)C[C@@H](C2CC2)O1 279324162 OITUIRUNLINFGV-ZBEGNZNMSA-N 274.339 2.697 30 50 CFEA C=C1C(=O)O[C@@H](CCCCCCCC)[C@@H]1C(=O)O 2507129 VCWLZDVWHQVAJU-NWDGAFQWSA-N 254.326 2.919 30 50 CFEA biogenic,in-vitro C[C@H](CC(C)(C)O)/N=C(/O)c1ccc(F)c(C#N)c1 331356481 RZOBGHSYWBKNBJ-SECBINFHSA-N 264.300 2.551 30 50 CFEA C=C(C)CN1CCC(N[C@@H]2CCCC23CCOCC3)CC1 241775894 RPZVBZLMFRSCEY-QGZVFWFLSA-N 292.467 2.966 30 50 CFEA C=CC[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)N(C)C 43199071 FIATUWHWTOJPRQ-RISCZKNCSA-N 292.335 2.646 30 50 CFEA N#CC1CC(O)(CN2CCCn3c(cc4ccccc43)C2)C1 1615547932 APICGJXXLWYWAY-UHFFFAOYSA-N 295.386 2.512 30 50 CFEA C=CCn1c(S)nnc1Cc1ccc(Cl)cc1 6562720 TVXKKKRBRPDOED-UHFFFAOYSA-N 265.769 2.997 30 50 CFEA in-vitro C[C@@H]1CN/C(=N/CCCc2c(Cl)cccc2Cl)N1 849049797 SLOCNECRZFBMRR-SECBINFHSA-N 286.206 2.863 30 50 CFEA C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1nc(C(F)(F)F)no1 952877202 MWURAOKVQJNMDQ-DJLDLDEBSA-N 288.273 2.821 30 50 CFEA CCC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 170007351 DMKRYNIXNRPQPP-UHFFFAOYSA-N 278.132 2.718 30 50 CFEA C=CCOc1ccccc1[C@@H]1CC(=O)Nc2[nH]nc(C)c21 46016607 DYZJXMXKJXYMQY-LBPRGKRZSA-N 283.331 2.757 30 50 CFEA CN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 209791638 KFIVVNDZVBWLJW-UHFFFAOYSA-N 281.592 2.705 30 50 CFEA CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1ccc(C#N)cc1 184805558 MOCIOAXMFHXOKX-HOTGVXAUSA-N 286.375 2.882 30 50 CFEA C[C@@H]1C/C(=C/C=C/N(C)C)C(=O)/C(=C/C=C/N(C)C)C1 954191287 HZTNVWFOZYJJLD-VKUUZFKKSA-N 274.408 2.989 30 50 CFEA COc1c(C(=O)O)cccc1-c1cccc(C#N)c1 65349643 WODGFTRRHPVTOQ-UHFFFAOYSA-N 253.257 2.932 30 50 CFEA in-vitro C(=N/Cc1ccc2c(c1)OCO2)\c1ccc2c(c1)OCO2 2169017 PAUSTGHYFOPLGX-REZTVBANSA-N 283.283 2.763 30 50 CFEA CN1Cc2cc(OCCCC(C)(C)C#N)ccc2C1=O 350143072 MATLVNRPNOOARZ-UHFFFAOYSA-N 272.348 2.981 30 50 CFEA C=C(C)CCNC(=O)c1ccc2nc(O)n(C3CC3)c2c1 615826978 SKIAZEREKBAVQM-UHFFFAOYSA-N 285.347 2.773 30 50 CFEA O=C1C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc2N1 1677763 GGRWZBVSUZZMKS-UHFFFAOYSA-N 286.718 2.640 30 50 CFEA world CN(CCC[C@H]1CCCO1)Cc1ccc(C#N)cc1 215041935 XWRIOUJXZWGYCA-INIZCTEOSA-N 258.365 2.949 30 50 CFEA C=CCC[C@H](CN1CCCC1)Oc1ccc(C#N)nc1 72433713 XRECIFJADLPEDS-MRXNPFEDSA-N 271.364 2.763 30 50 CFEA COc1nccc(-c2cccc(-n3cccn3)c2)c1C#N 96136011 BTMHRNSJBXEYLP-UHFFFAOYSA-N 276.299 2.815 30 50 CFEA O=C[C@]12[C@H]3[C@@H]4C=CC[C@H]4[C@H]4[C@@H]3[C@@H]3[C@@H]5[C@@H]4[C@@H]1O[C@@H]1CC[C@@H]([C@@H]32)[C@H]51 254821235 GVVNEXCWLFFAGP-AYIYGOQISA-N 294.394 2.539 30 50 CFEA CC(=O)c1ccc(C(=O)O[C@@H]2CCC[C@@H]2C#N)cc1 408518800 BDYURISGVXGKLL-ZIAGYGMSSA-N 257.289 2.738 30 50 CFEA COc1ccc(/C=N/n2c(N)nc3ccccc32)cc1 177317 MQFPPMNTMRFPQW-LICLKQGHSA-N 266.304 2.509 30 50 CFEA CN(C)CCOc1ccc(/C=C/C(=O)c2ccncc2)cc1 5207918 WADVDRQMOTVTLQ-VMPITWQZSA-N 296.370 2.918 30 50 CFEA C#CC1(OC[C@H](O)CN2C[C@@H](C)C[C@H](C)C2)CCCCC1 12419829 OCYWTORKQAWKIA-YESZJQIVSA-N 293.451 2.678 30 50 CFEA CC#CC(=O)N(C)[C@H](COC)c1cccc(C(F)(F)F)c1 1875363136 SAKVSQDYJKEAIA-CYBMUJFWSA-N 299.292 2.875 30 50 CFEA C=CCn1c(CCCNC(=O)CC)nc2ccccc21 2601795 DUWXSVCOTXKFOT-UHFFFAOYSA-N 271.364 2.681 30 50 CFEA C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc(F)c1 10339496 HFTGQWOCNDPRNF-RFAUZJTJSA-N 298.321 2.685 30 50 CFEA C=CCN1CCN(C(=O)c2c(C)cc(C)cc2C)CC1 55062674 RPHWNCIIWRVVJL-UHFFFAOYSA-N 272.392 2.556 30 50 CFEA CN(Cc1ccc(C#CCO)s1)C1Cc2ccccc2C1 67649001 UBTJRNCBQYXHQE-UHFFFAOYSA-N 297.423 2.691 30 50 CFEA N#Cc1csc(/C=C/c2ncc(C(=O)O)s2)c1 252540185 OVKDHDXCAUTJMI-OWOJBTEDSA-N 262.315 2.945 30 50 CFEA C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2C 72119368 RSRSXYLOKGZDCW-ZDUSSCGKSA-N 297.358 2.767 30 50 CFEA N#CCC(=O)NCc1cc(Oc2ccc(F)cc2)ccn1 356625677 REPBLVOWQDZYRT-UHFFFAOYSA-N 285.278 2.543 30 50 CFEA N#C[C@@H]1CC[C@@H](NC[C@H](c2ccco2)N2CCCC2)C1 442632253 ZYEBFQMOABMMNW-RBSFLKMASA-N 273.380 2.698 30 50 CFEA CCCn1ccnc1CNC(=O)Nc1ccc(C)c(C#N)c1 95518129 NNGAIGWXNYWJGE-UHFFFAOYSA-N 297.362 2.795 30 50 CFEA COc1nccc(-c2ccc(C(C)=O)cc2)c1C#N 96180158 NCQVYWGKJULYKT-UHFFFAOYSA-N 252.273 2.831 30 50 CFEA C=C[C@@]1(O)C[C@H]2[C@H]3C[C@@](O)(C=C)[C@@H]4[C@@H]5CC[C@@H]6[C@@H]5[C@H]([C@@H]2[C@@H]61)[C@@H]34 253607811 HHDXNQYASCNGKB-BRLCLTDYSA-N 298.426 2.625 30 50 CFEA C[C@@]1(C(=O)Nc2nc3ccccc3cc2C#N)CCCOC1 1615587640 OVNIVVQQMHVQNI-QGZVFWFLSA-N 295.342 2.862 30 50 CFEA C[C@@H](NC[C@H](O)Cc1ccccc1)c1ccc(C#N)cc1 242191408 XFHURGURVKPPGL-RDTXWAMCSA-N 280.371 2.812 30 50 CFEA Cc1ccccc1[C@@H](C(=O)N1CCC(C)(C#N)CC1)N(C)C 217624174 CDAOJYUTFZBEQL-INIZCTEOSA-N 299.418 2.750 30 50 CFEA Cc1noc(C)c1N=C(O)[C@H]1CCC(=O)c2cccn21 329883730 RLALVVIGRLLFJD-LLVKDONJSA-N 273.292 2.899 30 50 CFEA C[Si](C)(C)C#C/C=C/S(=O)(=O)c1ccccc1 195798655 BEKCFNNIQGCNIN-YRNVUSSQSA-N 264.422 2.855 30 50 CFEA O=C1/C(=C\c2ccc([N+](=O)[O-])c(O)c2)COc2ccccc21 170603915 KCUQGMBRNCCKIV-XFFZJAGNSA-N 297.266 2.959 30 50 CFEA N#CCNC(=O)CCCCc1ccc(Cl)cc1 195534781 NICAEFOBLASWNZ-UHFFFAOYSA-N 250.729 2.693 30 50 CFEA COc1ncc(NCc2csc(C3CC3)n2)cc1C#N 1616036222 QLARPCWHFMWTRK-UHFFFAOYSA-N 286.360 2.908 30 50 CFEA C(=N\N1CCN(c2ccccc2)CC1)\c1ccccc1 5009134 XZYJPHYLXJIQNL-SDXDJHTJSA-N 265.360 2.843 30 50 CFEA C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](C)C1 5611353 AZBPRTGHNOEGDK-DOTOQJQBSA-N 289.419 2.887 30 50 CFEA CC1(C)OB(c2cc(C#N)cc(Cl)c2F)OC1(C)C 169936075 RTOGPVMSCHKPTC-UHFFFAOYSA-N 281.523 2.650 30 50 CFEA CCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 206705045 APYMSUVACVNTKB-UHFFFAOYSA-N 262.158 2.775 30 50 CFEA N#Cc1ccc(C(F)(F)F)c(NCC(=O)NCC2CC2)c1 129234315 KIBSDCLMLMKJER-UHFFFAOYSA-N 297.280 2.515 30 50 CFEA Cc1cc(C#N)cnc1N1CCC[C@@H]1[C@H]1CCCOC1 1875294336 FINXELDZNBFRQK-LSDHHAIUSA-N 271.364 2.657 30 50 CFEA N#Cc1ccc(Cl)cc1NCC1(CO)CCC1 302115570 BWAQYMQJEZJOBJ-UHFFFAOYSA-N 250.729 2.786 30 50 CFEA O=C1C=CC(=NOC(=O)c2cccc(Cl)c2)C=C1 457634 DJJLENOATNXMRD-UHFFFAOYSA-N 261.664 2.548 30 50 CFEA Cc1cc(C)nc(/N=C(\N)Nc2ccc(Cl)cc2)n1 4008838 ANHAWMLUXSUVCU-UHFFFAOYSA-N 275.743 2.805 30 50 CFEA Cc1cc(C)n(-c2cccc(-c3c[nH]nc3C#N)c2)n1 67982873 PJVZMGGYZWHSJI-UHFFFAOYSA-N 263.304 2.751 30 50 CFEA C=C(C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170005018 REKOOYVNJKFJFS-UHFFFAOYSA-N 287.168 2.500 30 50 CFEA N#Cc1ccc(CN2CCOCC3(CCCC3)C2)o1 373570812 YFYJOVIKSMRKFB-UHFFFAOYSA-N 260.337 2.544 30 50 CFEA CC(C)[C@@H](NCc1ccc(C#N)cc1)C1(CO)CCC1 339732163 ZVDPOEZKHJUXJE-MRXNPFEDSA-N 272.392 2.835 30 50 CFEA Cc1ccc(S(=O)(=O)OCCC2CCOCC2)cc1 95698625 ODYJPBVJBNREQW-UHFFFAOYSA-N 284.377 2.517 30 50 CFEA C=C[C@H]1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C1 820443847 WLRGKFWYZGDMIG-HNNXBMFYSA-N 269.388 2.817 30 50 CFEA C[C@H](NCc1cnc(Cl)c(C#N)c1)[C@@H]1CCCOC1 408523960 OYTIEWMPGOJMHT-CMPLNLGQSA-N 279.771 2.511 30 50 CFEA CC(C)O[B-](OC(C)C)(OC(C)C)c1ccccn1 169935665 FDNQAPQMNFZCKH-UHFFFAOYSA-N 266.170 2.503 30 50 CFEA in-vitro CC1(C)OB(c2cc3cc(F)ccc3[nH]2)OC1(C)C 169935393 MJRYFGMQZMXUTH-UHFFFAOYSA-N 261.105 2.606 30 50 CFEA in-vitro Cc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1 4071121 QBTUPSGXVQCSGW-XMHGGMMESA-N 280.375 2.546 30 50 CFEA CC1(C)OB(c2cccc(NC3CCCC3)n2)OC1(C)C 169969200 FJYXHAJSEWJCPX-UHFFFAOYSA-N 288.200 2.735 30 50 CFEA CCO/C=N/c1c(C#N)cnn1-c1ccc(F)cc1 8227430 KXGOOHWMGBREFF-CXUHLZMHSA-N 258.256 2.579 30 50 CFEA N#Cc1ccc(CN2CCCC[C@H]2c2nc[nH]n2)c(F)c1 121667908 GWNZXMOSMWYZPO-AWEZNQCLSA-N 285.326 2.543 30 50 CFEA CCOC[C@H](NCc1cc(C#N)ccc1F)C(C)C 233777391 COISEVWVQQQTKV-HNNXBMFYSA-N 264.344 2.848 30 50 CFEA O=C(C#Cc1cccc([N+](=O)[O-])c1)c1ccccc1 984397 PPFBVVKWYQVYKJ-UHFFFAOYSA-N 251.241 2.829 30 50 CFEA aggregator Cc1nc(Cl)cc(N/N=C/c2ccc([N+](=O)[O-])cc2)n1 4947062 FKHVZPJHSCUPSK-VGOFMYFVSA-N 291.698 2.793 30 50 CFEA C#CC(C)(C)N(C)CC(=O)Nc1sc(C)c(C)c1C 225670687 UDHOVBFPHLIDBX-UHFFFAOYSA-N 278.421 2.955 30 50 CFEA C=CC[C@H]1N(CC(=O)NC2(C#N)CCC2)CCCC1(C)C 332459761 ISHHXXIOMSIBCO-CQSZACIVSA-N 289.423 2.616 30 50 CFEA CCn1ccc(CN2CCC(C#N)(c3ccccc3)CC2)n1 244874432 XBDLYIZDYMCNJE-UHFFFAOYSA-N 294.402 2.960 30 50 CFEA CCC(C#N)(CC)C(=O)Nc1cc2cc[nH]c2cn1 600086167 KGCWASVFBILLTP-UHFFFAOYSA-N 256.309 2.831 30 50 CFEA CCCCS[C@H](C)C(=O)Nc1cccnc1C#N 952884136 ZIWUHGFNASJQFX-SNVBAGLBSA-N 263.366 2.814 30 50 CFEA N#Cc1nc(C2CCC2)oc1NCCCn1ccnc1 1857798567 ODLDJYUHPIVIEC-UHFFFAOYSA-N 271.324 2.512 30 50 CFEA Cc1nnc(C)n1/N=C/c1ccccc1C(F)(F)F 228415 ZOTRHZKBKDREBL-FRKPEAEDSA-N 268.242 2.796 30 50 CFEA COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1O 4956729 QQIDWQSZAGABAG-OQLLNIDSSA-N 287.275 2.755 30 50 CFEA COc1ccc(NC(=O)C#Cc2ccccc2)cc1OC 6665501 DFLMWKKURZJHMP-UHFFFAOYSA-N 281.311 2.694 30 50 CFEA O=C1CS/C(=N/c2ccccc2)N1Cc1cccnc1 55520498 JBCJTKOQZCXADM-BMRADRMJSA-N 283.356 2.845 30 50 CFEA C=CCNC(=O)c1c(Cl)nc(C)c(Cl)c1C 2192342 GNKOFEHIGXXDNO-UHFFFAOYSA-N 259.136 2.921 30 50 CFEA C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1nc(C(F)(F)F)no1 952877204 MWURAOKVQJNMDQ-YIZRAAEISA-N 288.273 2.821 30 50 CFEA N#CCc1ccc(NC(=O)c2cc3ncccc3[nH]2)cc1 1875341589 YUVRVKOXMHLACP-UHFFFAOYSA-N 276.299 2.881 30 50 CFEA CC1=CC[C@@H]2CN(C(=O)c3cccc(C#N)c3)C[C@@H]2C1 71639003 GZLNGALLZCDLCU-CVEARBPZSA-N 266.344 2.987 30 50 CFEA C[C@@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@H]1O 253370418 QSKDHPXBVLDEGU-NOZJJQNGSA-N 284.281 2.784 30 50 CFEA C=CCN1C[C@H](N[C@@H](c2ccccc2)C2CC2)CCC1=O 1875280323 SYVFUDHXHDMVEX-AEFFLSMTSA-N 284.403 2.904 30 50 CFEA Cc1cc(N2CCC[C@H](Cn3ccnc3)C2)nc(C)c1C#N 2356152475 LBPRGSZEBLAUTF-OAHLLOKOSA-N 295.390 2.683 30 50 CFEA N#Cc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O 8577839 OOVASHBTYQTRFA-UHFFFAOYSA-N 264.206 2.932 30 50 CFEA CC1(C)CC(=O)C(=CNc2ccc3c(c2)OCO3)C(=O)C1 100441921 QDBPZZDKWIUOAM-UHFFFAOYSA-N 287.315 2.669 30 50 CFEA CC#CCCNC(=O)Cc1ccc(F)c(Br)c1 253425691 XOIMMVLLEJMPSR-UHFFFAOYSA-N 298.155 2.660 30 50 CFEA CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 198088419 NSVUJKCTIFASAY-UHFFFAOYSA-N 261.174 2.678 30 50 CFEA COCC(C)(C)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 294167112 RBOONFBWKBSPMR-UHFFFAOYSA-N 286.375 2.739 30 50 CFEA N#Cc1ccccc1N1CCN(CCCCCF)CC1 244898906 ZDUNJZLBHROGPN-UHFFFAOYSA-N 275.371 2.820 30 50 CFEA COc1cc(/C=C/C(=O)c2cc(O)ccc2O)ccc1O 4252639 WKFRQLXEGGKRPP-GORDUTHDSA-N 286.283 2.708 30 50 CFEA N#Cc1cccc2cc(OC[C@@H]3C[N@@]3CC3CC3)cnc12 1875379261 PBUINORBNMUYJO-MGPUTAFESA-N 279.343 2.579 30 50 CFEA CCCCCOC(=O)C[n+]1csc2ccccc21 2871040 URKCFPBEGVDUDR-UHFFFAOYSA-N 264.370 2.922 30 50 CFEA CC(C)=NOC(=O)Nc1ccc([N+](=O)[O-])cc1C 4583116 KUKQQCXISUJCMW-UHFFFAOYSA-N 251.242 2.848 30 50 CFEA Cc1n[nH]c(C)c1CCN(C)Cc1cccc(C#N)c1 216423601 VHZFKSQVJXQWOL-UHFFFAOYSA-N 268.364 2.573 30 50 CFEA Cc1nnc(NCCC[C@@H]2CCCC[C@H]2O)c(C#N)c1C 154505863 ZKQVWEJLJVTDIE-DZGCQCFKSA-N 288.395 2.708 30 50 CFEA Cc1ccc(C(=O)N2CCC[C@@H](C#N)C2)n1C(F)F 426409492 RZMHUMFYOMCFAO-JTQLQIEISA-N 267.279 2.567 30 50 CFEA C[C@@H]1CCCN(C(=O)COc2ccc(C#N)c(Cl)c2)C1 190250437 LCHOCKKYQCAFPR-LLVKDONJSA-N 292.766 2.849 30 50 CFEA COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(F)F 575444837 VZYYNUKAGXYVGZ-UHFFFAOYSA-N 284.111 2.932 30 50 CFEA N#Cc1c(Br)ccc(N)c1C(F)(F)F 242722744 XTQNCDURNQDQJN-UHFFFAOYSA-N 265.032 2.922 30 50 CFEA in-vitro C=CCCC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCC3 225456653 DMMCHKZKILNEMY-UHFFFAOYSA-N 297.358 2.638 30 50 CFEA C=C(C)Cn1c(CN(C)C(C)=O)nc2ccccc21 9250273 OULBOKPESITJSN-UHFFFAOYSA-N 257.337 2.591 30 50 CFEA CSc1nc2c(-c3ccccc3)c(C)nn2c(N)c1C#N 215881752 QFAFECMEMNBEMX-UHFFFAOYSA-N 295.371 2.881 30 50 CFEA CC(C)OCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 211231504 GGQMHIHUTGIIPK-UHFFFAOYSA-N 276.185 2.911 30 50 CFEA CC1(C)OB(c2cccnc2OC2CCCC2)OC1(C)C 169745932 GZCZGFSEHAZEPS-UHFFFAOYSA-N 289.184 2.702 30 50 CFEA in-vitro C=CCN1C[C@@H](N[C@@H](c2ccccc2)C2CC2)CCC1=O 1875280326 SYVFUDHXHDMVEX-WMZOPIPTSA-N 284.403 2.904 30 50 CFEA COc1ccc(C2=Cc3cc(C)c(C#N)c(=O)n3C2)cc1 4594042 YUHCXJPUFDOPMZ-UHFFFAOYSA-N 278.311 2.591 30 50 CFEA C[C@@H]1CC[C@@H]2CNC(=NC[C@@H]3CCCSCC3)N2C1 2325863597 POELCRNNBUPADZ-MGPQQGTHSA-N 281.469 2.579 30 50 CFEA CC1(C)OB(c2cc(Cl)c3cn[nH]c3c2)OC1(C)C 170008297 ZNKLIKIJYRVENU-UHFFFAOYSA-N 278.548 2.516 30 50 CFEA O=C1OC=C[C@@H]1N=C(c1ccccc1)c1ccccc1 147099703 HPNRPGYBMHAOSP-HNNXBMFYSA-N 263.296 2.963 30 50 CFEA CNC(=NCc1ccccc1COc1ccccc1)NC 170611475 VHKVWPQABBSEEU-UHFFFAOYSA-N 283.375 2.560 30 50 CFEA N#Cc1ccnc(NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 581267867 GUCQMMKQSHOIGA-YPMHNXCESA-N 299.296 2.849 30 50 CFEA CC1CCN(CCn2cc(C#N)c(=O)c3ccccc32)CC1 193491494 RUUZALCIHWKRIA-UHFFFAOYSA-N 295.386 2.605 30 50 CFEA CC(/C=N/N1C(=O)CSC1=S)=C\c1ccccc1 5061054 IAMIWRZQJRNCKX-XFUBVATKSA-N 276.386 2.936 30 50 CFEA Cc1cnn([C@@H]2CCN(Cc3ccc(CC#N)cc3)C2)c1 352389968 ATPWYJFZBXWDCT-QGZVFWFLSA-N 280.375 2.705 30 50 CFEA C#CCCCS(=O)(=O)N1CC(C)(C)[C@@H]1c1ccccc1 952888339 VSQFCPKSPCISFU-HNNXBMFYSA-N 291.416 2.813 30 50 CFEA COC(=O)c1cccc(NC(=O)c2ccc(C#N)cc2F)c1 4867667 ZIAANIBQHYJVHS-UHFFFAOYSA-N 298.273 2.736 30 50 CFEA Cc1ccc(COc2ccc(/C=N/NC(N)=S)cc2)cc1 6487142 YMCFTCVMBFOIKD-VCHYOVAHSA-N 299.399 2.741 30 50 CFEA C=CCC[C@]12[C@@H](C)CC[C@H]1CC(=O)[C@H]2C(=O)OC 71786044 TWLPUDDLQJTRCQ-UHXUCMFUSA-N 250.338 2.747 30 50 CFEA CCC#CCN1CCC(CNC(=O)c2ccccc2)CC1 952965725 TVEKERXWNOLATQ-UHFFFAOYSA-N 284.403 2.542 30 50 CFEA N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2nc(S)oc2c1 170651930 KIPGVIAUGOCAOT-ZJUUUORDSA-N 287.344 2.539 30 50 CFEA C=CC[C@H]1C=CC[C@H](CC=C)N1C(=O)c1ncc[nH]1 211328920 YNFKZYHDEFRQBS-STQMWFEESA-N 257.337 2.701 30 50 CFEA C[C@@H]1CC/C(=C\C=C\N(C)C)C(=O)/C1=C\C=C\N(C)C 16134076 FZWHTLJRASFMLX-NXCPCKAHSA-N 274.408 2.989 30 50 CFEA C=CCNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 2082508 GNUIPZXVVRIPMV-UHFFFAOYSA-N 292.338 2.906 30 50 CFEA C=CCn1cc(CNCCCc2ccccc2O)c(C)n1 55211140 APTDRAOTUVROIW-UHFFFAOYSA-N 285.391 2.806 30 50 CFEA COc1ccc2c(c1)c(=N)[nH]n2C(=O)C1(C#N)CCCCC1 328598902 OVGSZYBMWGQAAZ-UHFFFAOYSA-N 298.346 2.572 30 50 CFEA N#CCC1(CS(=O)(=O)N[C@H]2C[C@H]2C2CCCCC2)CC1 253429162 MIAJIHZHJKRJGM-KBPBESRZSA-N 296.436 2.568 30 50 CFEA C=CC[C@]1(CO)CCCN(C(=O)Cc2ccccc2C)C1 91713438 LRQHOZIRDUOHRP-SFHVURJKSA-N 287.403 2.715 30 50 CFEA Cn1c(N=Cc2cccc([N+](=O)[O-])c2O)nc2ccccc21 254791268 DVYUKEJIVMEQHL-UHFFFAOYSA-N 296.286 2.938 30 50 CFEA CC[C@H](CC#N)OC(=O)/C=C/c1ccc2c(c1)OCO2 170605105 WAALZUIZVQMPBL-FVOPLDGLSA-N 273.288 2.664 30 50 CFEA Cc1ccc(N2CCN(/N=C/c3ccncc3)CC2)cc1 72754 ISNAKOYHJUOKBR-XMHGGMMESA-N 280.375 2.546 30 50 CFEA O=[N+]([O-])c1ccc(N/N=C/c2ccc3c(c2)OCO3)cc1 4017560 ZURBLFPFTHXHQS-OVCLIPMQSA-N 285.259 2.770 30 50 CFEA C=CCn1c(SC)nc2sc(CC)cc2c1=O 5017313 PPNNIJBIAGCZJO-UHFFFAOYSA-N 266.391 2.928 30 50 CFEA N#CCc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 37328 YKIVDYMGYONXET-UHFFFAOYSA-N 280.283 2.734 30 50 CFEA C=CCOc1ccc2ccccc2c1CNC[C@H](C)O 6585889 WSKZSRTZTYESPP-ZDUSSCGKSA-N 271.360 2.875 30 50 CFEA COC(=O)/C=C(\Cl)C(=O)c1ccc(Cl)cc1 5669504 JQZDDUHBYOEWLY-TWGQIWQCSA-N 259.088 2.818 30 50 CFEA C#CC1(OC[C@H](O)CN2C[C@H](C)C[C@@H](C)C2)CCCCC1 12419821 OCYWTORKQAWKIA-BRWVUGGUSA-N 293.451 2.678 30 50 CFEA CC(C)(C)c1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1 4191393 DOBZEONUUACQKA-UHFFFAOYSA-N 297.358 2.856 30 50 CFEA CCN(C(=O)[C@H](C#N)CCc1ccccc1)c1cnn(C)c1 594402889 RSKJNQCVLQVAJE-HNNXBMFYSA-N 296.374 2.546 30 50 CFEA CC#CC(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 801144581 SIUFNGRQVORELQ-UHFFFAOYSA-N 291.350 2.928 30 50 CFEA Clc1ccc([C@H]2CNC(=NCc3ccoc3)N2)cc1 2325864399 NMJOGIYTGWWBFZ-CYBMUJFWSA-N 275.739 2.723 30 50 CFEA C=C(C)C(=O)Nc1cccc(C(=O)NCC(C)C)c1 449670 KVPKPCHGDNAAEQ-UHFFFAOYSA-N 260.337 2.587 30 50 CFEA CCc1c(C)sc(NC(=O)c2ccn(CC)n2)c1C#N 6700410 DZQGLRUMVYVUJC-UHFFFAOYSA-N 288.376 2.959 30 50 CFEA C=CCc1cccc(Cl)c1OCCCN1CCNCC1 20272525 VYVYSXVPGLWZCY-UHFFFAOYSA-N 294.826 2.743 30 50 CFEA N#Cc1cnn2ccc(-c3ccc4c(c3)CCC4)nc12 1395044 YUGWTKZHZCJKKC-UHFFFAOYSA-N 260.300 2.757 30 50 CFEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3[C@@H]2[C@H]2CC[C@H]23)cc1 248030103 PWROZVJTPAXOPA-KHMAMNHCSA-N 278.373 2.745 30 50 CFEA Cc1nccn1CC[C@H](C)N1CCC(C)(C#N)CC1 670459158 SGJFNBBVMZILEI-ZDUSSCGKSA-N 260.385 2.596 30 50 CFEA C=C(C)C[C@H](C)C(=O)Nc1cc(C)ccc1C(N)=O 585090768 GIUVLEIGRQYTPP-NSHDSACASA-N 260.337 2.635 30 50 CFEA Cn1c(C#N)ccc1C(=O)NCC1CCCCCC1 331614590 WOICNHONCHFNTA-UHFFFAOYSA-N 259.353 2.597 30 50 CFEA CC(=O)c1ccc(B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cc1 169806786 HVMKMUXPGMCSKS-SCNOPHJPSA-N 298.191 2.825 30 50 CFEA CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc1 4143842 WTMJZOIYKMQECG-ZDUSSCGKSA-N 285.343 2.696 30 50 CFEA C#CCSc1nc2sc(C)c(C)c2c(=O)n1CC=C 2283615 QZONSRKSYONXFJ-UHFFFAOYSA-N 290.413 2.986 30 50 CFEA CC(=O)OC1=CC=C2C=C(C(C)=O)c3ccccc3[C@]23O[C@@H]13 101016916 CGWRTRGFUKIGPA-ZWKOTPCHSA-N 294.306 2.654 30 50 CFEA C=C/C(O)=N/[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 328599438 RWVSNJYKDHEANG-UONOGXRCSA-N 253.305 2.871 30 50 CFEA CC#CC(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 328589551 TWPFBLGAMHRBOW-CYBMUJFWSA-N 281.359 2.601 30 50 CFEA O=CN1CCC[C@H]1C(O)=Nc1cccc(C(F)F)c1 328599249 QWEVDXSUCWUCBX-NSHDSACASA-N 268.263 2.833 30 50 CFEA Cc1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 211405851 GMCOKTFYYVXBTH-UHFFFAOYSA-N 252.550 2.948 30 50 CFEA N#Cc1cccc(C(=O)NC[C@H]2CCN(C3CCCC3)C2)c1 222442779 MFMRRQZXBVZWQR-OAHLLOKOSA-N 297.402 2.553 30 50 CFEA CC(C)[C@H](NCc1cccc(C#N)c1)C1(CO)CCC1 292722182 FLKQNBJGHSEBGM-INIZCTEOSA-N 272.392 2.835 30 50 CFEA N#Cc1ccc(NCC(=O)N2CC=CC23CCCC3)cc1 585128539 FAEJFUYOBQBKLD-UHFFFAOYSA-N 281.359 2.681 30 50 CFEA Cc1cc(C#N)c(N(C)CC[C@@H](C)N2CCCC2)nc1C 1529186990 NORZFFVNIMCWNS-CQSZACIVSA-N 286.423 2.881 30 50 CFEA Cc1nc(-c2ccccc2)oc1B1OC(C)(C)C(C)(C)O1 169914316 GDUNQSMSAKRSMI-UHFFFAOYSA-N 285.152 2.949 30 50 CFEA COc1ccc(/C=C\C(=O)c2ccncc2)c(OC)c1 4567002 MXWUWTHBHFQMEO-XQRVVYSFSA-N 269.300 2.995 30 50 CFEA CCOC(=O)[C@@H]1[C@@H](B2OC(C)(C)C(C)(C)O2)[C@H]1C(C)C 1857779459 VPNDMGPIMQLSHB-SRVKXCTJSA-N 282.189 2.914 30 50 CFEA C#CCCC1(CCC(=O)N2CCC[C@H](COC)CC2)N=N1 952882439 MILPYJRUFJZGKI-AWEZNQCLSA-N 291.395 2.617 30 50 CFEA C=CCSc1nnc2c(n1)OC=Nc1ccccc1-2 4111836 TWOXIZRBEBZPRL-UHFFFAOYSA-N 270.317 2.869 30 50 CFEA C=CCN(Cc1ccco1)Cc1ccc(C#CCO)s1 55414652 HNLBNLHZJGZZQV-UHFFFAOYSA-N 287.384 2.873 30 50 CFEA CC#CC(=O)N1CCCc2c(Br)cccc2C1 330032426 MVYSVJYHMUDJBO-UHFFFAOYSA-N 292.176 2.747 30 50 CFEA CSc1nc(C(=O)N2CCC[C@](C)(C#N)C2)cs1 215434083 ZMXUZVQEANGYLB-GFCCVEGCSA-N 281.406 2.631 30 50 CFEA Cc1ccccc1OC1CN(C(=O)c2ccccc2C#N)C1 91665528 KFTZBYGERGGAJL-UHFFFAOYSA-N 292.338 2.770 30 50 CFEA CCO[C@@H]1C[C@@H](Nc2ccc(C#N)cc2)[C@@]12CCCO2 273457942 FWVZINCSHVRPBG-OAGGEKHMSA-N 272.348 2.697 30 50 CFEA N/C(=N\C(=O)Nc1ccccc1)Nc1nc2ccccc2o1 15684609 DMHSKMQBSSOVMH-UHFFFAOYSA-N 295.302 2.787 30 50 CFEA N#Cc1cc(F)c(N2CCCN3CCC[C@H]3C2)c(F)c1 247693425 XVJLTQRKSWNXAS-LBPRGKRZSA-N 277.318 2.511 30 50 CFEA C=CCC[C@H](CO)NC(=O)c1csc2ccccc12 320304850 BZJUUKNXLVPEDW-LLVKDONJSA-N 275.373 2.958 30 50 CFEA N#Cc1ccccc1CN1CC(Oc2ccccc2)C1 214950822 VENVLCYLJLQASH-UHFFFAOYSA-N 264.328 2.821 30 50 CFEA CC#CCCNC(=O)Cc1ccccc1Br 241969558 UXMDAMJFRSOXTD-UHFFFAOYSA-N 280.165 2.521 30 50 CFEA CC1(C)OB(c2cnc3ccsc3c2)OC1(C)C 203637440 DGWMSNIIORGYBE-UHFFFAOYSA-N 261.155 2.596 30 50 CFEA C=CCNS(=O)(=O)c1cc(C)c(OCCC)cc1C 16647678 PLRZLJMWOGHGNH-UHFFFAOYSA-N 283.393 2.557 30 50 CFEA CN(Cc1ccc(F)c(C#N)c1)c1cc(C2CC2)[nH]n1 1875272440 JEERXZRJTNXQDW-UHFFFAOYSA-N 270.311 2.934 30 50 CFEA N#Cc1c(-c2ccc(Cl)cc2)nc2n(c1=O)CCS2 51770 RNKRUOZWPAGZSO-UHFFFAOYSA-N 289.747 2.541 30 50 CFEA C=CCOc1cccc(C(=O)Nc2nccs2)c1 2877195 BNSGKRFOKHSDFT-UHFFFAOYSA-N 260.318 2.960 30 50 CFEA CCCCC1=C(O)c2cccc3c(=O)n(C)c(O)c(c23)C1=O 252495673 OVKUSSBZSKDSQB-UHFFFAOYSA-N 299.326 2.900 30 50 CFEA Cc1cc(C#N)c(N(C)CC[C@H](C)N2CCCC2)nc1C 1529186986 NORZFFVNIMCWNS-AWEZNQCLSA-N 286.423 2.881 30 50 CFEA C#CCCC1(CCC(=O)Nc2cc3n(n2)CCCC3)N=N1 952883193 RXNZJKCXYNMXEM-UHFFFAOYSA-N 285.351 2.514 30 50 CFEA CSCCNc1ncc(Br)cc1CC#N 1775989433 AVAJNAUBYCONGR-UHFFFAOYSA-N 286.198 2.685 30 50 CFEA CCCc1occc1/C(O)=N/C(C)(C)CN1CCOCC1 331325233 GAVVJRAPCBNSGY-UHFFFAOYSA-N 294.395 2.648 30 50 CFEA CC(=O)O/N=C1\c2ccccc2-c2nc3ccccc3nc21 253471446 SRVXFZMTOKXBPO-CAPFRKAQSA-N 289.294 2.926 30 50 CFEA CC[C@@]12C[C@@H]1CN(C(=O)c1cc(F)cc(C#N)c1)C2 1772808786 BEYCETXNSDKELG-DOMZBBRYSA-N 258.296 2.569 30 50 CFEA Cc1cc[nH]c(=NCCCOC2CCCCC2)c1C#N 612069878 CNCARLWURHROKS-UHFFFAOYSA-N 273.380 2.835 30 50 CFEA C=CC[C@@]1(CO)CCCN(C(=O)CCC(F)(F)F)C1 91536257 JRIDXXZKAZNONM-GFCCVEGCSA-N 279.302 2.506 30 50 CFEA Cc1cc(N(C)Cc2nc(CC(C)C)no2)nc(C)c1C#N 2356139339 WHRAVXBNHDWGJO-UHFFFAOYSA-N 299.378 2.788 30 50 CFEA Cc1c(C#N)c(/N=C/N(C)C)c(C#N)n1-c1ccccc1 4793165 SXWNFTPLBRLQCB-YBFXNURJSA-N 277.331 2.750 30 50 CFEA C=C(C)CN(CC)C(=O)CC[C@H]1CCCN(C)C1 65423449 PCHTTWDKRRYQIZ-CQSZACIVSA-N 252.402 2.533 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1CNCc1cc(C#N)cs1 328626446 LRRLWTIMVNTFLT-TZMCWYRMSA-N 264.394 2.770 30 50 CFEA CC(O)=Nc1ccn([C@H]2CCN(Cc3ccco3)C2)n1 328619889 GIEYRLRHEBDRSM-LBPRGKRZSA-N 274.324 2.531 30 50 CFEA CCc1nc(N/C(O)=N/C[C@]2(C)CCOC2)sc1C 331228848 CEOXATIMRMRWNM-ZDUSSCGKSA-N 283.397 2.766 30 50 CFEA CC[C@H]1CCC/C1=N\NS(=O)(=O)c1ccc(C)cc1 43763527 CDAZBUKYEREVCH-TZFAWSOVSA-N 280.393 2.839 30 50 CFEA Cc1nc(Cl)cc(N[C@@H]2CCCC[C@@H]2C#N)n1 585098855 JVHDQNRLBXALGH-NXEZZACHSA-N 250.733 2.933 30 50 CFEA N#[N+]CC(=O)CCCCCCCCC(=O)C[N+]#N 2028815 YYZYXQGRYOUEQB-UHFFFAOYSA-N 252.318 2.952 30 50 CFEA O=C1C=CC(=NOC(=O)c2ccccc2Cl)C=C1 457505 VTIFQUUALUCMLZ-UHFFFAOYSA-N 261.664 2.548 30 50 CFEA CC1(C)OB(C#CCOCc2ccccc2)OC1(C)C 169995707 BGKRWCHUAGKXFM-UHFFFAOYSA-N 272.153 2.838 30 50 CFEA CC1(C)CC(=O)C=C(NCc2ccc3c(c2)OCO3)C1 4815845 ZRZUNJWMSQOIJP-UHFFFAOYSA-N 273.332 2.778 30 50 CFEA N#Cc1ccc(-c2nnc(CN[C@@H]3CCC[C@H]4C[C@@H]43)o2)cc1 592182776 UUOJHBHLMJOIEP-SOUVJXGZSA-N 294.358 2.886 30 50 CFEA C[C@H]1C[C@@H]1c1nnc2ccc(Oc3ccccc3C#N)nn12 2325790411 JVVDGVGRNZEUSI-JQWIXIFHSA-N 291.314 2.912 30 50 CFEA CC1(C)OB(C=C2CCC3(CC2)OCCO3)OC1(C)C 307349427 GJUIDVZBUOJXEO-UHFFFAOYSA-N 280.173 2.861 30 50 CFEA C=CCN(Cc1cccc(OC)c1)Cc1ncc[nH]1 55245547 YGCJGDDCISHIQN-UHFFFAOYSA-N 257.337 2.607 30 50 CFEA N#Cc1nc(C(F)(F)F)ccc1Br 238569435 GRYWQCYIUBGZKN-UHFFFAOYSA-N 251.005 2.735 30 50 CFEA CC1(C)CN(c2cccc(C#N)n2)[C@H]1c1ccncc1 292773345 PGASWGUURPZCDI-HNNXBMFYSA-N 264.332 2.936 30 50 CFEA O=C1/C(=C/c2cc(O)ccc2[N+](=O)[O-])Oc2ccccc21 299738124 ACMFHHFXXOBBDR-ZSOIEALJSA-N 283.239 2.917 30 50 CFEA CC(=O)Nc1ccc(/C=C/C(=O)c2ccncc2)cc1 4020965 APOPTJNIAUCFJS-QPJJXVBHSA-N 266.300 2.936 30 50 CFEA C=C(C)[C@@H](OC(=O)c1ccccc1)[n+]1ccccc1 5283289 LJSOLPPUUGJJBH-OAHLLOKOSA-N 254.309 2.906 30 50 CFEA Cc1ccc2nc(Nc3ccccc3)c(/C=N/O)c(=O)n2c1 18038262 WQAMFFJSEXOHTM-RQZCQDPDSA-N 294.314 2.555 30 50 CFEA C=CCOc1ccc(C(=O)Nc2nccs2)cc1 4841070 OCTNAALUZQBASX-UHFFFAOYSA-N 260.318 2.960 30 50 CFEA Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cc1 100182458 QIESSCZYAMITEQ-MOOAXBBYSA-N 294.354 2.526 30 50 CFEA CCOC(=O)c1sc(-c2ccc(O)c(C#N)c2)nc1C 66326003 WTMZFYPEMMFHPR-UHFFFAOYSA-N 288.328 2.873 30 50 CFEA CC(C)NCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 170007447 JIGYABXXTKEDJU-UHFFFAOYSA-N 293.191 2.623 30 50 CFEA COC[C@](C)(C#N)NC(=O)c1cc(Cl)sc1Cl 137239539 CYCQRWPYFJTVDW-JTQLQIEISA-N 293.175 2.713 30 50 CFEA N#Cc1ccccc1NC(=S)NC(=O)c1ccccc1 491538 NCONWYDEBPOTIO-UHFFFAOYSA-N 281.340 2.685 30 50 CFEA C#C[C@@](C)(C=C)OC(=O)c1cnn(CC(C)C)c1C 252508084 XCHLSPSIMYUNLA-HNNXBMFYSA-N 260.337 2.582 30 50 CFEA C=CCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Cl)cc1 443959 GOTRTAWJFOBASH-CYBMUJFWSA-N 291.734 2.810 30 50 CFEA C[C@H]1CCc2c(nc(N)c(C#N)c2-c2cccnc2)C1 1776111116 IIIHTBQFCJHJFH-JTQLQIEISA-N 264.332 2.722 30 50 CFEA C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 12403618 ZPMCRUWNTJSZDI-KPKJPENVSA-N 264.241 2.701 30 50 CFEA CCCc1noc2c1/C(=N\OC(C)=O)CC(C)(C)C2 4957960 SGINHGLSHWPVJF-WJDWOHSUSA-N 264.325 2.867 30 50 CFEA CC(=O)Nc1cccc(C(=O)/C=C\c2ccncc2)c1 4531824 INEGOWIIXPQBQH-WAYWQWQTSA-N 266.300 2.936 30 50 CFEA CC1(C)C[C@H](/N=C(/O)c2cccc3oc(O)nc23)CCO1 328592852 MMLOJPRGJKLENV-SECBINFHSA-N 290.319 2.796 30 50 CFEA O=C([C@H]1CO1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 1875373104 UCTCJFKRYNHJQA-ZWKOTPCHSA-N 293.366 2.754 30 50 CFEA N#Cc1nc(-c2ccccc2)oc1N1CCC[C@@H](C(=O)O)C1 1857800272 IJIVZBYWXCVMNT-GFCCVEGCSA-N 297.314 2.514 30 50 CFEA C=CCOC(=O)CCC(=O)Nc1nc2ccccc2s1 3105975 DLOUMQHIYNHFTC-UHFFFAOYSA-N 290.344 2.744 30 50 CFEA C[C@H]1CCCC[C@@H]1NC=C1C(=O)CC(C)(C)CC1=O 100444503 TYKJFMGGRWEHEW-AAEUAGOBSA-N 263.381 2.997 30 50 CFEA CC1(C)CC(=O)C2=C(C1)O[N+]([O-])=C[C@@H]2c1ccccc1 104106181 VPODVHGWVCFMSZ-GFCCVEGCSA-N 271.316 2.940 30 50 CFEA CC(C)(C)c1ccc(=O)n(Cc2cc(C#N)ccc2F)n1 171166429 ZIHCGZAFGDIMBS-UHFFFAOYSA-N 285.322 2.600 30 50 CFEA C=CC[C@H](CC)NC(=O)NC[C@H]1CCO[C@@H]1C(C)C 253426335 FIBSMCAPNNEBKB-HZSPNIEDSA-N 268.401 2.701 30 50 CFEA C[C@H]1OB(c2ccccc2)O[C@H](C)C1c1ccccc1 196074783 DPXZSTGHDSUTMC-ZIAGYGMSSA-N 266.149 2.989 30 50 CFEA C=CC[C@]1(O)C[C@@H](C(C)(C)C)CCC12OCCO2 43763618 VSSWAUGQYGZDMH-JSGCOSHPSA-N 254.370 2.883 30 50 CFEA CCc1ccc(Cn2ncnc2-c2cc(C#N)cn2C)cc1 91460871 RHJFDKFOGDGGEQ-UHFFFAOYSA-N 291.358 2.766 30 50 CFEA C[C@H](Nc1ccc(C#N)c(Cl)c1)C1(S(C)(=O)=O)CC1 588072574 MAXUJALVIOJAME-VIFPVBQESA-N 298.795 2.589 30 50 CFEA O=C(/C=C/c1ccc2c(c1)OCO2)c1ccncc1 16310385 GPOGQKDGSULXOE-HNQUOIGGSA-N 253.257 2.706 30 50 CFEA Cc1ccc2cc(B3OC(C)(C)C(C)(C)O3)[nH]c2c1 169935414 DJFGVVLVJWDLJI-UHFFFAOYSA-N 257.142 2.776 30 50 CFEA C[C@](O)(C#CCN1CCCCCC1)c1ccccc1 4826244 DUGBBMPNICBQMZ-KRWDZBQOSA-N 257.377 2.774 30 50 CFEA Fc1cccc(/C=N/Nc2nccnc2Cl)c1 4947226 AFFQWMIGPWGSAG-FRKPEAEDSA-N 250.664 2.715 30 50 CFEA CO/N=C/[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl 5248316 LXVBOSFZIQAIKP-ZTHJFAKTSA-N 277.633 2.993 30 50 CFEA C=C(Br)CN[C@H]1CCCC12CCOCC2 252500056 SMLWBVDKCSDNJL-NSHDSACASA-N 274.202 2.834 30 50 CFEA CC1(C)CCCN(C(=O)c2cncc(Cl)c2)[C@@H]1C#N 296958988 YFDTXCXZCLXHAW-GFCCVEGCSA-N 277.755 2.889 30 50 CFEA C=CCNc1ncnc2sc(C(=O)NC(C)C)c(C)c12 12218709 BEWGNNQHIUTYNT-UHFFFAOYSA-N 290.392 2.736 30 50 CFEA C=C(Cl)CCc1nc(Cc2c(C)noc2C)no1 1857531143 WCAHOQISGHMYHP-UHFFFAOYSA-N 267.716 2.950 30 50 CFEA C=C(C)CNC(=O)N[C@H](C)c1cnn(Cc2ccccc2)c1 156281025 VNMZCCLPBSMHIF-CQSZACIVSA-N 298.390 2.868 30 50 CFEA N#C[C@H]1CC[C@@H](NC(=O)c2cc(Cl)nc(Cl)c2)C1 819631628 OYZYFVPEZCYPLN-IONNQARKSA-N 284.146 2.810 30 50 CFEA N#Cc1cc(N2CCCCCC2)c([N+](=O)[O-])cc1C#N 4133156 KEIGMHXWPAWQCQ-UHFFFAOYSA-N 270.292 2.719 30 50 CFEA CSC[C@H]1CCCN1C(=O)/C=C/c1cccc(C#N)c1 123563527 GFKSFVXVMNSURG-MVGZEHJDSA-N 286.400 2.925 30 50 CFEA CC1(C)CCCC/C1=N\NS(=O)(=O)c1ccccc1 43763556 XQKDPNJEONRQLE-FYWRMAATSA-N 280.393 2.921 30 50 CFEA N#C[C@@H]1CCCN(C(=O)Nc2cc(F)cc(F)c2)C1 96151741 ARSISWLBTICJOZ-VIFPVBQESA-N 265.263 2.732 30 50 CFEA C=C(C)C[C@H](C)C(=O)Nc1c[nH]nc1Br 585126032 LSMKRHBSOPTMPY-ZETCQYMHSA-N 272.146 2.713 30 50 CFEA N#Cc1cccc(Br)c1N1CCSC1 169725855 RDWKOESUCMUBQI-UHFFFAOYSA-N 269.167 2.831 30 50 CFEA Cc1cccc2c3c(ccc12)C(=O)C([C@H](C)CO)=C(O)C3=O 100230821 MHCXKYJBQMJPRJ-SNVBAGLBSA-N 296.322 2.968 30 50 CFEA biogenic,in-vitro C[C@H](O)[C@@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C1 129389304 RGMKNGLVPQIWGW-GXSJLCMTSA-N 284.281 2.784 30 50 CFEA C#CCOc1cccc([C@H](C)N[C@H]2CCc3c[nH]nc3C2)c1 1775984818 KFLFPORGEOPEBZ-BBRMVZONSA-N 295.386 2.630 30 50 CFEA CNC(=O)ON=C(c1ccccc1)c1ccccc1 1699806 AFXCGMIVAMDFOR-UHFFFAOYSA-N 254.289 2.795 30 50 CFEA C/C(=C\C(=O)c1ccc(Cl)cc1)N1CCOCC1 4819955 WTYKLHFLSAYFHE-ZHACJKMWSA-N 265.740 2.759 30 50 CFEA C[C@@H]1CCCC[C@H]1NC=C1C(=O)CC(C)(C)CC1=O 100444512 TYKJFMGGRWEHEW-DGCLKSJQSA-N 263.381 2.997 30 50 CFEA CCNc1c(Br)cc(C#N)cc1[N+](=O)[O-] 95496075 QDOQBNSEYVUOSV-UHFFFAOYSA-N 270.086 2.661 30 50 CFEA in-vitro C/C(=N\S(=O)(=O)c1ccc(C)cc1)N1CCCCC1 13113803 RESSYQALSCBLIC-FYWRMAATSA-N 280.393 2.588 30 50 CFEA CC(C)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 169932158 CRUBIPPDOBIWRL-UHFFFAOYSA-N 289.228 2.826 30 50 CFEA Cc1cc(C)c(C#N)c(S(=O)(=O)Cc2ccccc2)n1 911422 QIZVMOXHOABTFP-UHFFFAOYSA-N 286.356 2.544 30 50 CFEA C=CCC[C@]12[C@@H](C)CC[C@H]1CC(=O)[C@@H]2C(=O)OC 71786046 TWLPUDDLQJTRCQ-MEDZGJRSSA-N 250.338 2.747 30 50 CFEA N#Cc1cnn2c(C(F)F)cc(-c3ccco3)nc12 2747788 OWGRFCUQKZSBHC-UHFFFAOYSA-N 260.203 2.799 30 50 CFEA O/C(=N/[C@@H]1CCc2c[nH]nc2C1)[C@H]1CCCCS1 329315854 DVKPYSQHUJYXSO-ZYHUDNBSSA-N 265.382 2.509 30 50 CFEA N#Cc1cc(Br)c(Cl)cc1[N+](=O)[O-] 95494775 ZUICMBUZYPVZSU-UHFFFAOYSA-N 261.462 2.882 30 50 CFEA N#Cc1ccc(NC(=O)CCCN2CCC[C@H](C#N)C2)cc1 244840263 UJZVJUDIIKMJKQ-OAHLLOKOSA-N 296.374 2.513 30 50 CFEA O=C1/C(=C/c2cc(O)c(O)c([N+](=O)[O-])c2)Oc2ccccc21 299738209 JUTLQEJPZKYWSM-QPEQYQDCSA-N 299.238 2.622 30 50 CFEA C=C(C)C[C@H](C)C(=O)NCC(OC)(OC)c1ccccc1 585129061 WZFMJUKFLUYFST-AWEZNQCLSA-N 291.391 2.851 30 50 CFEA CC#CC(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 764505896 IMAKIGYAJPUYQL-UHFFFAOYSA-N 294.310 2.540 30 50 CFEA N#Cc1ccc(S[C@@H]2CCCCNC2=O)c(Cl)c1 154163061 VNSPWMZOBRIWQV-GFCCVEGCSA-N 280.780 2.972 30 50 CFEA CCOC(=O)[C@@H]1[C@@H](B2OC(C)(C)C(C)(C)O2)C1(C)C 1857779367 JXXBRNXZNXWTOH-VHSXEESVSA-N 268.162 2.668 30 50 CFEA N#Cc1ccc(Cn2cnc3ccc(Cl)cc3c2=O)cc1 407469 IIBYOCVBWRVOKQ-UHFFFAOYSA-N 295.729 2.970 30 50 CFEA COCCOc1ccc(C(=O)Nc2ccccc2C#N)cc1 8723074 FHNOWFDADOVXRI-UHFFFAOYSA-N 296.326 2.836 30 50 CFEA CCCCN(Cc1ccco1)C(=O)c1ccc(C#N)nc1 55414377 QKZKOUCEQGRMLE-UHFFFAOYSA-N 283.331 2.989 30 50 CFEA CC(O)=Nc1ccn([C@H]2CCN(Cc3cccnc3C)C2)n1 328626281 LMSWVOPCZQGELB-HNNXBMFYSA-N 299.378 2.641 30 50 CFEA C[C@H]1C[C@@]1(C#N)C(=O)N1Cc2ccccc2OC(C)(C)C1 336304109 SBNRXFTYIATCTB-SJCJKPOMSA-N 284.359 2.736 30 50 CFEA C[C@@H]1OCCC[C@@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2 191942220 RWGLWTKCBIFMTL-FZMZJTMJSA-N 299.374 2.586 30 50 CFEA Cc1ccc(C(=O)/N=C(\N)Nc2nc3ccccc3o2)cc1 13110788 CMOGQTDVPNDKTI-UHFFFAOYSA-N 294.314 2.703 30 50 CFEA aggregator Oc1ccc(Br)cc1/C=N/Nc1ccccn1 4738497 VQQMWAPCKOMOKF-OVCLIPMQSA-N 292.136 2.996 30 50 CFEA COCCNc1cc(C)c(C#N)c2nc3ccccc3n12 4043037 QWZXDUZFUJTDIE-UHFFFAOYSA-N 280.331 2.726 30 50 CFEA C=C(C)CN(C)C(=O)[C@H]1CCCN(Cc2ccco2)C1 55153439 UHBHADIXYIJKJI-AWEZNQCLSA-N 276.380 2.526 30 50 CFEA COc1ccccc1/C=N/n1c(SC)nnc1C(F)F 2790960 IWCPIWFVXAYHNZ-VIZOYTHASA-N 298.318 2.828 30 50 CFEA Cc1nnc(N=C(O)c2ccnc(C3CC3)c2)n1C1CC1 329085376 UFPXZJUAUHZTLS-UHFFFAOYSA-N 283.335 2.830 30 50 CFEA N#CCCN1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 280351160 IHZVKZASLBVZNG-GWCFXTLKSA-N 284.281 2.727 30 50 CFEA CCc1cc(N2CCC[C@@H](C#N)C2)n2nc(C)c(C)c2n1 72429060 XOJLVENGLJRNGT-ZDUSSCGKSA-N 283.379 2.649 30 50 CFEA Cc1occc1/C(O)=N/[C@H]1CCCO[C@@H]1c1cnn(C)c1 328626683 LYPGJYZPGDGMCR-UONOGXRCSA-N 289.335 2.546 30 50 CFEA CC(C)(CN1CCCC1)CN1CCC[C@](C)(C#N)C1 826679759 WOESIJIRRYSAAY-MRXNPFEDSA-N 263.429 2.734 30 50 CFEA N#CCc1ccccc1CC(=O)N1CC(C2CCC2)C1 1875256600 MSNCWIAZMBXVCH-UHFFFAOYSA-N 268.360 2.554 30 50 CFEA Cc1nnc(C)c2c(C)n(-c3ccc(C#N)cc3)nc12 12409994 CVFBIVTUECFILQ-UHFFFAOYSA-N 263.304 2.612 30 50 CFEA CCC1(CC)CNC(=NCc2cc(C)ccc2F)N1 1875355610 APFLUDVBNXPUAQ-UHFFFAOYSA-N 263.360 2.742 30 50 CFEA C#Cc1ccc(NC(=O)c2c[nH]nc2-c2ccccn2)cc1 1304815274 JVAZWOAPVHJXGU-UHFFFAOYSA-N 288.310 2.705 30 50 CFEA C=CCC[C@H](NC(=O)N1CCC[C@@H](O)C1)c1ccccc1 131077368 GQLHSVQCBMHVPA-CVEARBPZSA-N 288.391 2.860 30 50 CFEA C=C1c2ccccc2C(=O)[C@]23O[C@@]12[C@H]1C=C[C@H]3CC1 101047570 LVWQIFOIVONKDF-NQERCMRGSA-N 250.297 3.000 30 50 CFEA C=CCN1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 20160957 GBXLQWBCVIWVPD-UHFFFAOYSA-N 290.432 2.571 30 50 CFEA CCOC(=O)C1CCN([C@H](C#N)c2ccc(C)cc2)CC1 67172735 LNZJKROSHSONKU-MRXNPFEDSA-N 286.375 2.835 30 50 CFEA CCc1onc(C)c1/C(O)=N/C[C@H]1CCO[C@@H]1C(C)C 328608616 ARVPNHFNYFBXGN-BXUZGUMPSA-N 280.368 2.911 30 50 CFEA C=C(C)CNC(=O)Nc1ccc(-c2nnc(C)o2)cc1 157527261 YYGRKJAQQZOWPI-UHFFFAOYSA-N 272.308 2.743 30 50 CFEA Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1 229932860 QIESSCZYAMITEQ-LMCLWSKKSA-N 294.354 2.526 30 50 CFEA Cc1nsc(NCCCNc2ccccn2)c1C#N 283645987 UYVMGALTWLSANJ-UHFFFAOYSA-N 273.365 2.632 30 50 CFEA CC(C)c1cccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)c1 132213413 MMCLBNFERFBVDR-GFCCVEGCSA-N 287.363 2.509 30 50 CFEA Cc1noc(C2CCN(c3ccc(C#N)cc3F)CC2)n1 264964805 XPPDHBVLSNBGBR-UHFFFAOYSA-N 286.310 2.773 30 50 CFEA N#Cc1cc(C(F)(F)F)ccc1NC[C@H](N)C1CC1 129305162 RRUBECYCDDYHPS-NSHDSACASA-N 269.270 2.726 30 50 CFEA N#Cc1ccc(N2CC(F)(F)C2)cc1Br 169725792 FIGNQWZIMXOQNU-UHFFFAOYSA-N 273.080 2.776 30 50 CFEA C[C@H](O)[C@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C1 129389714 RGMKNGLVPQIWGW-ONGXEEELSA-N 284.281 2.784 30 50 CFEA COc1ccccc1NC(=S)N/N=C1/C[C@H]2C=CC[C@@H]12 137856124 RLYWNVFIGLKBCR-ZETXXNBMSA-N 287.388 2.934 30 50 CFEA Cc1cccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)c1 1430744 IACXFVQPRGIUBC-AWEZNQCLSA-N 298.386 2.795 30 50 CFEA C=CCN(C(=O)C(=O)Nc1ccccc1Cl)C(C)C 71551683 OKLGCKTZXLSXNB-UHFFFAOYSA-N 280.755 2.702 30 50 CFEA N/N=C(\S)Nc1ccc(OCc2ccccc2)cc1 128065 SSEUFZMKDSZKBU-UHFFFAOYSA-N 273.361 2.837 30 50 CFEA in-vitro C=CCN1C[C@H](N[C@H](c2ccccc2)C2CC2)CCC1=O 1875280325 SYVFUDHXHDMVEX-SJLPKXTDSA-N 284.403 2.904 30 50 CFEA Cc1cccc([C@]2(C(=O)N=C3C[C@H](C)ON3)CC2(F)F)c1 1875330492 ZVGWSWJNZICLAM-HZMBPMFUSA-N 294.301 2.510 30 50 CFEA CC(C)[C@H]1C/C(=N\NC(N)=S)C=C2CCCC[C@H]21 15906111 XGXXCLXVNNPUDX-QYYZECACSA-N 265.426 2.968 30 50 CFEA COc1ccc([C@@H]2O[C@]23Cc2ccccc2C3=O)cc1 163794 LZNLWNYATXBVFQ-IRXDYDNUSA-N 266.296 2.944 30 50 CFEA O=C1ON=C(c2ccccc2)/C1=C\c1ccc2c(c1)OCO2 100438920 HXPYADVNHOGEER-MDWZMJQESA-N 293.278 2.760 30 50 CFEA CC1(C)CC(=O)C(=CNCc2ccc(F)cc2)C(=O)C1 100312952 QQMGIZVXXCDPRE-UHFFFAOYSA-N 275.323 2.757 30 50 CFEA C=CCC[C@H](CN(C)CC)Oc1ccnc(OC)c1C#N 72470534 AQQHBQYFYLQGOL-CYBMUJFWSA-N 289.379 2.627 30 50 CFEA CC(=O)c1ccc(/C(O)=N/[C@H]2CCOC(C)(C)C2)cc1O 331249864 XZTQLCUEAHBIAS-LBPRGKRZSA-N 291.347 2.857 30 50 CFEA N#Cc1ccncc1N1CC[C@@]2(C1)OCc1ccccc12 372224433 YGWGXSBLHMKYBV-KRWDZBQOSA-N 277.327 2.589 30 50 CFEA C=CC[C@@H]1CC=C(Br)[C@H](CC(C)=O)N1 40457256 FKELFNAVZPIGPY-KOLCDFICSA-N 258.159 2.551 30 50 CFEA CC1(C)OB(c2ccc(CN3CCCC3)s2)OC1(C)C 169794534 VWOUUXTUYSWOCT-UHFFFAOYSA-N 293.241 2.643 30 50 CFEA in-vitro C#CCOc1ccc(CNc2cccc(CO)c2)cc1 190997927 NNTFZISBLOEVOR-UHFFFAOYSA-N 267.328 2.803 30 50 CFEA C[C@H](CC#N)NCc1cccc(OC(F)(F)F)c1 612584507 MXNXIUTZGUIDNK-SECBINFHSA-N 258.243 2.977 30 50 CFEA CC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(Cl)c1 147693 NTRXBHAKTGACNQ-CYBMUJFWSA-N 288.738 2.809 30 50 CFEA CCC[C@]1(CO)CCCN1c1ccc(C#N)cc1[N+](=O)[O-] 225518490 UKUKRFNBVNKLCW-OAHLLOKOSA-N 289.335 2.598 30 50 CFEA C#C[C@H](C)N(C)C(=O)NCC1(c2ccccc2C)CC1 225682588 YGOIWSZFOYLJOH-AWEZNQCLSA-N 270.376 2.690 30 50 CFEA CC[C@H](C#C[C@@](C)(O)CCC=C(C)C)OC(C)=O 3882083 JRIMDRYHZVUHQU-CABCVRRESA-N 252.354 2.829 30 50 CFEA CCO/C=C(\C(C)=O)S(=O)(=O)c1ccc(Cl)cc1 2170056 KKJFBPCKVYIRGR-XYOKQWHBSA-N 288.752 2.581 30 50 CFEA CC(C)(C#N)c1ccc(-c2ncccc2C(N)=O)cc1 426477458 WBMMVPUFPIWXHC-UHFFFAOYSA-N 265.316 2.649 30 50 CFEA N/C(=N\Cc1nc2ccccc2n1C1CC1)N1CCCCC1 183837618 PMXNAAXUATULIC-UHFFFAOYSA-N 297.406 2.672 30 50 CFEA N#Cc1c[nH]c(C(=O)Nc2cccc(CN3CCCC3)c2)c1 826761556 IOUXOBUBRBMDRU-UHFFFAOYSA-N 294.358 2.734 30 50 CFEA C=CCN(Cc1ccsc1)C(=O)[C@H]1CC12CCNCC2 952960863 DFPHHKKFMLABAJ-CQSZACIVSA-N 290.432 2.652 30 50 CFEA Cc1ccnc2[nH]c([C@H](C#N)C(=O)[C@@H](C)C(C)C)nc12 750723382 IQFBGCCZNXNMIX-WDEREUQCSA-N 270.336 2.735 30 50 CFEA C[C@H](C#N)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 204258694 OJJCHFBGYNZHLW-LLVKDONJSA-N 257.142 2.613 30 50 CFEA in-vitro C=C(C)CNC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 156781398 UKDIGMCZCDZERX-CYBMUJFWSA-N 284.363 2.809 30 50 CFEA Nc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)cn1 821037403 BRMBAWDEPOSTMT-GHXNOFRVSA-N 266.300 2.582 30 50 CFEA CN(C)C(=O)c1cccc(-c2cccc(C#N)c2)c1 1250582383 VAMWEKQJBLTZGO-UHFFFAOYSA-N 250.301 2.927 30 50 CFEA C[C@@H](Cc1ccccc1)NC(=O)CO/N=C/c1ccccc1 2897219 OHKGKNZNXXKALB-SJPXOZHESA-N 296.370 2.785 30 50 CFEA CC(C)Cc1cc(C(=O)Nc2ccc(C#N)cc2)no1 3909101 HRWIIZYQICXXEB-UHFFFAOYSA-N 269.304 2.997 30 50 CFEA Cn1cc[n+](CC(=O)c2ccc(-c3ccccc3)cc2)c1 4603014 CWYOANAUELDUBN-UHFFFAOYSA-N 277.347 2.863 30 50 CFEA Cc1ccc(N2CC[C@@H](O)c3ccccc3C2)nc1C#N 364978324 GXOMFKSJAPLELN-MRXNPFEDSA-N 279.343 2.705 30 50 CFEA C=CCCC1(C(=O)O)CCN(Cc2cscn2)CC1 1776169875 DGVWYQSDXSHOTN-UHFFFAOYSA-N 280.393 2.776 30 50 CFEA C=CCN(CC=C)C(=O)COc1ccc(Cl)cc1 174549 ZZIAJTCLLQMCTJ-UHFFFAOYSA-N 265.740 2.919 30 50 CFEA C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCO3)c2C#N)C1 87522 RMDSCSYCOGQKCX-BXKDBHETSA-N 290.388 2.862 30 50 CFEA N#Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1C#N 241263 WBLCQMXLGKWTAV-UHFFFAOYSA-N 264.240 2.920 30 50 CFEA O=C(C[n+]1cccc(Br)c1)c1ccccc1 1668330 AKUKOWPMKWTBQS-UHFFFAOYSA-N 277.141 2.620 30 50 CFEA C#CCOc1ccc(/C=C2\SC(=O)N(CC=C)C2=O)cc1 2813753 QQWXBGNWDUIAIH-KAMYIIQDSA-N 299.351 2.921 30 50 CFEA N#CC1(N2CCCC2)CCN(Cc2ccccc2)CC1 34924989 QYTCSUCLFRIBLQ-UHFFFAOYSA-N 269.392 2.641 30 50 CFEA CC(C)[C@H](NCc1ccc(C#N)cc1)C1(CO)CCC1 339732161 ZVDPOEZKHJUXJE-INIZCTEOSA-N 272.392 2.835 30 50 CFEA N#Cc1c(Br)cccc1N1CCC(CO)CC1 95495732 HLICXKDNWSUJEI-UHFFFAOYSA-N 295.180 2.529 30 50 CFEA C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CC#N)cc1 298273129 LFIUMEPODBFTAT-GFCCVEGCSA-N 285.347 2.553 30 50 CFEA CC(=O)N=C1C=CC(=C/C=C2/C=CC=CN2C)C=C1 367628665 SEVVCHVCBMJWBP-VVIOSIAYSA-N 252.317 2.926 30 50 CFEA CC1(C)OB(c2cc(C#N)c(Cl)cc2F)OC1(C)C 169746587 SSSWHKMAQLQQAC-UHFFFAOYSA-N 281.523 2.650 30 50 CFEA in-vitro C=CCN(CCc1ccccc1)C(=O)c1ccc(O)cc1O 194735837 RSBPMPPMHBGJCR-UHFFFAOYSA-N 297.354 2.969 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1CC[C@@H](O)C12CCCCC2 585113636 CNLUOVPKKJQNLE-UONOGXRCSA-N 265.397 2.885 30 50 CFEA Cc1ccc(CC(=O)N2CCC(C)(C#N)CC2)cc1C 218942959 JCIQJOTWYAKKQV-UHFFFAOYSA-N 270.376 2.998 30 50 CFEA Cc1cccc(C(=O)O/N=C2\C[C@H](C)N(C)C[C@H]2C)c1 5647844 WSBKLQGARDLANT-BLCHQYFCSA-N 274.364 2.868 30 50 CFEA CC[C@@]1(C#N)CCCN(c2ncnc3ccc(C)nc23)C1 1857698373 NXRMWRGRGLCHSB-INIZCTEOSA-N 281.363 2.853 30 50 CFEA N#Cc1c(F)c(F)c(Br)c(F)c1F 2545354 STJZOKCIEOTPDV-UHFFFAOYSA-N 253.980 2.877 30 50 CFEA in-vitro C[C@@H]1C[C@H]1CN/C(O)=N/C[C@H]1CCO[C@@H]1C(C)(C)C 328616429 BRMYVPMNVBSANZ-NDBYEHHHSA-N 268.401 2.597 30 50 CFEA CCOC(=O)[C@@H]1[C@H](B2OC(C)(C)C(C)(C)O2)C1(C)C 1857779780 JXXBRNXZNXWTOH-UWVGGRQHSA-N 268.162 2.668 30 50 CFEA C#CC[C@H](C(=O)OCCOc1cncc(Cl)c1)C1CC1 2325802949 HDDGCLHNDJDBOR-AWEZNQCLSA-N 293.750 2.707 30 50 CFEA C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1 2041362 DDKOMKXCUXCQBS-UHFFFAOYSA-O 281.763 2.598 30 50 CFEA in-vitro Cc1cc(C)n([C@H]2CCN(c3cc(C)c(C#N)c(C)n3)C2)n1 2356148389 UCSYCGBESYDMPZ-HNNXBMFYSA-N 295.390 2.835 30 50 CFEA CC1=C/C(=N\NS(=O)(=O)c2ccc(C)cc2)CCC1 4825572 FJJXCKAUGXEJBY-SQFISAMPSA-N 278.377 2.760 30 50 CFEA O=C(/C=C/c1cncs1)c1ccc(O)c([N+](=O)[O-])c1 136518408 KYMCWIHVWHIKCP-DUXPYHPUSA-N 276.273 2.653 30 50 CFEA N#C[C@@H](NC(=O)c1cn[nH]c1)c1ccc(Cl)c(Cl)c1 109290813 GZXRZKCQBHQIRO-LLVKDONJSA-N 295.129 2.711 30 50 CFEA Cn1c([C@@H](NCC#N)c2ccccc2)nc2ccccc21 125994505 SDDUALNWPPUTHO-INIZCTEOSA-N 276.343 2.776 30 50 CFEA COc1ccc2c(c1)[C@H](C)N(C(=O)c1cc(C#N)c[nH]1)CC2 426477331 FFESABCHHDROCZ-NSHDSACASA-N 295.342 2.654 30 50 CFEA C[C@@H](C#N)[C@@]1(O)c2ccccc2CCc2ncccc21 252491920 LZNKDRZWHJIFMI-YVEFUNNKSA-N 264.328 2.576 30 50 CFEA N#Cc1cccc2cc(OC[C@H]3C[N@@]3CC3CC3)cnc12 1875379260 PBUINORBNMUYJO-FOIQADDNSA-N 279.343 2.579 30 50 CFEA C=CCNC(=O)c1cc(-c2ccc(Cl)cc2)on1 2602329 POZTZBFUODNTSS-UHFFFAOYSA-N 262.696 2.911 30 50 CFEA CO[C@@H](C)c1nnc(Nc2ccc(F)c(C#N)c2)s1 2356157895 WJUNSQUSCGYUJN-ZETCQYMHSA-N 278.312 3.000 30 50 CFEA Cc1ccc(S(=O)(=O)OC2[C@H]3C=C[C@H]2CC3)cc1 101042459 CPIDNWGXOKVSLP-RYUDHWBXSA-N 264.346 2.665 30 50 CFEA C[C@](O)(C#Cc1ccccc1)[C@@](C)(O)C#Cc1ccccc1 25757958 JDLOQXQSHZJRFJ-PMACEKPBSA-N 290.362 2.592 30 50 CFEA CC1(C)OB(c2ccc(N)c(Cl)c2Cl)OC1(C)C 170008202 UBYOIGMLUOXOTL-UHFFFAOYSA-N 287.983 2.875 30 50 CFEA Cc1ccc(CS(=O)(=O)c2nsc(C)c2C#N)cc1 1395854 MLKDMLDPXRXKFT-UHFFFAOYSA-N 292.385 2.606 30 50 CFEA N#Cc1ccc(N2CCC[C@H](Oc3ncccc3F)C2)cn1 253429504 HKYMYAWABYRFMY-AWEZNQCLSA-N 298.321 2.535 30 50 CFEA O=C1C=C[C@@H](O)O[C@@H]1c1ccc(-c2ccccc2)cc1 71772346 YQKGLCAKZGUEOB-DLBZAZTESA-N 266.296 2.869 30 50 CFEA CC(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccccc1 243756292 PZEIYHIOEKLUGS-UHFFFAOYSA-N 293.326 2.550 30 50 CFEA COc1ccc(/C=C/C(=O)c2ccc[nH]2)cc1OC 5014306 ATVMRJLVVKGFSV-FNORWQNLSA-N 257.289 2.928 30 50 CFEA O=C(c1ccc([N+](=O)[O-])cc1)/[N+]([O-])=C/CCc1ccccc1 2519720 NRPMHBMDHOYHHU-ATVHPVEESA-N 298.298 2.949 30 50 CFEA CC(C)[C@H]1NC(=NCc2ccccc2)N[C@@H]1C(F)(F)F 1875278764 CWBKUOMPCAIDNX-NEPJUHHUSA-N 285.313 2.691 30 50 CFEA COc1ccc(N/N=C(/C#N)C(=N)N2CCCCCC2)cc1 2904767 SKSVLXSIXFUYLH-NAJJLZLLSA-N 299.378 2.840 30 50 CFEA C#C[C@@H](C)N(C)C(=O)NCC1(c2ccccc2C)CC1 225682615 YGOIWSZFOYLJOH-CQSZACIVSA-N 270.376 2.690 30 50 CFEA CCN1C[C@@H](CC(C)C)N/C1=N/Cc1ccccc1 1775994137 VKLHRMGHHPVLFU-OAHLLOKOSA-N 259.397 2.882 30 50 CFEA C=CCCC[C@H](NC[C@H](C)CCO)[C@]1(C)CCCO1 952882424 QREGVMKSKGFABV-PMPSAXMXSA-N 269.429 2.889 30 50 CFEA C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C 4956592 OKJIZKAXRQGFGW-CABCVRRESA-N 298.386 2.818 30 50 CFEA CCc1nnc(/N=C(\O)[C@H](C)N2CCC(C)CC2)s1 20019001 TUHVFJAFDUEAJB-JTQLQIEISA-N 282.413 2.809 30 50 CFEA O=C(O)c1ccc(/N=C/c2ccc([N+](=O)[O-])o2)cc1 33640519 UAAOVFUSFWGWGB-NTUHNPAUSA-N 260.205 2.637 30 50 CFEA Cc1nn(CCC2=CCCCC2)c(=O)c(C#N)c1C 333669030 IKUJBWDVAQKKKK-UHFFFAOYSA-N 257.337 2.622 30 50 CFEA CCOC(=O)c1cc(F)c(Br)cc1C#N 263625152 XEQQGJAPPBMXFT-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA CC#CC(=O)N(Cc1cnn(Cc2ccccc2)c1)C(C)C 408515913 NVZYMPQJZCGCOV-UHFFFAOYSA-N 295.386 2.692 30 50 CFEA Cc1c(B2OC(C)(C)C(C)(C)O2)ccc(F)c1F 169807452 ZFGTVDVAMFQJOZ-UHFFFAOYSA-N 254.085 2.572 30 50 CFEA in-vitro CC[C@@H]1C[C@@H](CC(=O)N(CC#N)c2ccccn2)CCO1 585125278 MKUZLKVRWUFHHU-UONOGXRCSA-N 287.363 2.533 30 50 CFEA C=CCOCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169995785 CKLUESWBFOPYJN-UHFFFAOYSA-N 274.169 2.688 30 50 CFEA C[C@@H](c1cccnc1)N(C)Cc1cc(C#CCO)cs1 952981008 YODZNHKUXWDDBF-ZDUSSCGKSA-N 286.400 2.680 30 50 CFEA N#C[C@@H](C(=O)COc1ccccc1)c1ccccc1 573941 KAJYTIRBEIARTG-OAHLLOKOSA-N 251.285 2.942 30 50 CFEA N/C(=N\O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2547487 GGAPMNUHESBFNK-UHFFFAOYSA-N 272.148 2.819 30 50 CFEA CCNC(=S)N/N=C/c1ccc(Cl)cc1Cl 2581497 OQLLRXRAUJHHMU-MKMNVTDBSA-N 276.192 2.811 30 50 CFEA N#CCCOC1(C#CCN2CCCC2)CCCCC1 2933298 NWZREWHFQNXLSL-UHFFFAOYSA-N 260.381 2.719 30 50 CFEA N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)nc1 110284195 WJGKAFCDTLTTIC-NEPJUHHUSA-N 299.280 2.974 30 50 CFEA N#CC(C#N)CC(=O)c1ccc(C(F)(F)F)cc1 51951648 CWFDAAVYVKTGLR-UHFFFAOYSA-N 252.195 2.942 30 50 CFEA Cc1ccc(S(=O)(=O)O[C@H]2CCCCCC2=O)cc1 59238441 WVZOAZUIYHADSM-AWEZNQCLSA-N 282.361 2.602 30 50 CFEA N#CCCNC(=O)c1cc(Cl)ccc1OC(F)F 225628802 IFUJBHSXLADBKS-UHFFFAOYSA-N 274.654 2.585 30 50 CFEA CCCCCCCC1=NN2C(=O)CC(=O)N=C2S1 100475948 VUUOEWKVRTYDTO-UHFFFAOYSA-N 267.354 2.522 30 50 CFEA Cc1ncccc1/C=C/C(=O)c1ccc(O)c([N+](=O)[O-])c1 136507398 PUYYKPRFDCXYCM-GQCTYLIASA-N 284.271 2.900 30 50 CFEA C=C/C(O)=N/[C@H](c1ccc(F)cc1)c1cnn(C)c1 328599499 SLHIIVVJJJOOPL-CQSZACIVSA-N 259.284 2.791 30 50 CFEA COc1ccc([C@H](CC=O)NC(=O)OC(C)(C)C)cc1 36461359 JWAVLQHTIOGWIE-ZDUSSCGKSA-N 279.336 2.850 30 50 CFEA C[C@H](CNc1cc(C#N)ccc1C(F)(F)F)[S@@](C)=O 128306634 CHFRRTITTRVKTD-YLVJLNSGSA-N 290.310 2.756 30 50 CFEA Cn1c(S[C@@H]2CC[C@H](C#N)C2)nc2ccsc2c1=O 278497054 CBQYCKKWBCNYOV-DTWKUNHWSA-N 291.401 2.779 30 50 CFEA O=C(/C=C/c1cccc2nccn12)c1sccc1O 170601416 WAARUOXIEGZKHR-SNAWJCMRSA-N 270.313 2.998 30 50 CFEA CC(C)[C@H]1NC(=NCc2ccccc2)N[C@H]1C(F)(F)F 1875278765 CWBKUOMPCAIDNX-VXGBXAGGSA-N 285.313 2.691 30 50 CFEA O=C([C@@H]1CO1)N1CCC[C@@H]1C[C@@H]1CCCc2ccccc21 1875373217 WIUZBUMMBUYFFW-UXLLHSPISA-N 285.387 2.886 30 50 CFEA CCc1cnc(CC/N=C(/O)C[C@H]2CCOC2)s1 329787056 YIAZNWQLWOFILQ-SNVBAGLBSA-N 268.382 2.631 30 50 CFEA CCn1cc([C@H]2OCC[C@@H]2/N=C(/O)[C@@H]2C[C@@H]2C2CC2)cn1 328633659 SSMBJOSUSTZXRJ-APIJFGDWSA-N 289.379 2.736 30 50 CFEA CC(C)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 228893717 KWDJPFSOSBRJBP-UHFFFAOYSA-N 281.205 2.727 30 50 CFEA C[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)n1cnc2ccccc21 267953487 CANDXBKKNPTQFI-RISCZKNCSA-N 284.363 2.652 30 50 CFEA COc1ccc([B-](OC(C)C)(OC(C)C)OC(C)C)nc1 169935694 MJCIDTLHUSVMLI-UHFFFAOYSA-N 296.196 2.511 30 50 CFEA in-vitro Cc1nc(Cl)cc(N[C@H]2CCCC[C@@H]2C#N)n1 585098858 JVHDQNRLBXALGH-ZJUUUORDSA-N 250.733 2.933 30 50 CFEA C=C(C)C[C@@H](C)C(=O)Nc1c[nH]nc1Br 585126031 LSMKRHBSOPTMPY-SSDOTTSWSA-N 272.146 2.713 30 50 CFEA COC(=O)C[n+]1cc2cscc2c2ccsc21 2027071 ARELQMDJZWFSBW-UHFFFAOYSA-N 264.351 2.577 30 50 CFEA C=C1Cn2c(nc3sc(C)c(C)c3c2=O)S1 4276422 GYIFLZYZJIGYOS-UHFFFAOYSA-N 250.348 2.694 30 50 CFEA O=C1O[C@@]2(OC=C(c3ccccc3)C2=O)c2ccccc21 119871 ZFKJVJIDPQDDFY-KRWDZBQOSA-N 278.263 2.650 30 50 CFEA biogenic,in-vitro C=C1OC(=O)O[C@]1(C)CCc1ccc2c(c1)OCO2 1062528 LTECCNBPSDEPNA-CQSZACIVSA-N 262.261 2.787 30 50 CFEA C=C[C@@]1(O)C[C@H]2[C@H]3C[C@@](O)(C=C)[C@H]4[C@@H]5CC[C@@H]6[C@@H]5[C@@H]([C@H]43)[C@@H]2[C@@H]61 252157568 HHDXNQYASCNGKB-ITEWLUMPSA-N 298.426 2.625 30 50 CFEA C#CCC(C)(C)C(=O)N[C@H](C)COc1ccc(F)cc1F 170596796 WOXOVUHVIKPHII-LLVKDONJSA-N 295.329 2.898 30 50 CFEA CN(C(=O)N1CCCC1)c1cc(C#N)c2ccccc2n1 1875317301 UMHLTSQSXSZCHB-UHFFFAOYSA-N 280.331 2.758 30 50 CFEA N#Cc1cc(Br)c(O)c(Br)c1 334873 UPMXNNIRAGDFEH-UHFFFAOYSA-N 276.915 2.789 30 50 CFEA biogenic,in-vitro C=CCNc1cnn(Cc2ccccc2)c(=O)c1Cl 1748353 HZYOTFQMUMTGTL-UHFFFAOYSA-N 275.739 2.543 30 50 CFEA CSc1ccc(I)c(C#N)c1 170591034 CRFHJIFLIWNVOL-UHFFFAOYSA-N 275.114 2.885 30 50 CFEA in-vitro CCc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 203552576 XBQRKXINKYLHBN-UHFFFAOYSA-N 250.122 2.687 30 50 CFEA O=C(Nc1ccccc1)O/N=C/c1ccc([N+](=O)[O-])o1 296430 IHIPFJNHPUMXDU-MDWZMJQESA-N 275.220 2.770 30 50 CFEA N#Cc1c(NC(=O)CN2CCCCC2)sc2c1CCC2 90017 KPLSQHSAPPJSKW-UHFFFAOYSA-N 289.404 2.533 30 50 CFEA C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1 13126958 MDQVQKUDFDEWNY-BMIGLBTASA-N 280.331 2.546 30 50 CFEA C=CCCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 14977788 ZPAAKFIGXGEFPV-QGZVFWFLSA-N 286.419 2.776 30 50 CFEA O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H]1CO1 1875372957 QMLWQMBECMJTHY-NEPJUHHUSA-N 285.265 2.672 30 50 CFEA O=C(O)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F 100858522 TUDCJVQSSPDUEW-UHFFFAOYSA-N 297.048 2.641 30 50 CFEA C=CCOc1ccccc1OCCN1C[C@H](C)O[C@@H](C)C1 20653018 DAEXNWCCHFXITC-GJZGRUSLSA-N 291.391 2.739 30 50 CFEA Cc1csc(S(=O)(=O)N2CCCC(C)(C)[C@H]2C#N)c1 451009584 KRWHNLNFTKVCFJ-LLVKDONJSA-N 298.433 2.759 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1[C@H](O)CC 585127415 ZTUGJBCLURHORW-BFHYXJOUSA-N 253.386 2.741 30 50 CFEA Cc1nc(C)c(/C(O)=N/C[C@H]2CCn3ccnc3C2)s1 328638824 WNPCHWVMIQLNPD-NSHDSACASA-N 290.392 2.524 30 50 CFEA COc1nc2ccccc2cc1-c1nccnc1C#N 426604622 ULCYVAWTAZSDFI-UHFFFAOYSA-N 262.272 2.572 30 50 CFEA Cc1noc(-c2ccc(-c3ccccc3C#N)nc2)n1 534633573 ORDFUSUQMAOKLH-UHFFFAOYSA-N 262.272 2.979 30 50 CFEA CC(C)(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 169935361 NJSUTJJMQXIVLM-UHFFFAOYSA-N 277.173 2.558 30 50 CFEA in-vitro C#CCN1C(=O)S/C(=C/c2sccc2C)C1=O 1146856 TVKIEWPCENQEQD-JXMROGBWSA-N 263.343 2.726 30 50 CFEA CC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(Cl)c1 440086 QHCZZONAYLTQAS-LBPRGKRZSA-N 264.712 2.557 30 50 CFEA C=CCn1ncnc1C(O)(c1ccccc1)c1ccccc1 5283193 YAYHMKBTHKMQSB-UHFFFAOYSA-N 291.354 2.748 30 50 CFEA C[Si](C)(C)C#Cc1cc(Br)cnc1N 169794053 XWDKTCNJXFYEOM-UHFFFAOYSA-N 269.218 2.655 30 50 CFEA CC#CC(=O)N(CCOCC)[C@@H]1CCc2ccccc21 863002980 RCIJNDLAOZFIKP-MRXNPFEDSA-N 271.360 2.562 30 50 CFEA C[C@]1(Cc2cccc(Cl)c2)CCCN1C(=O)[C@@H]1CO1 1875372605 JGYLOTFONGADNE-DZGCQCFKSA-N 279.767 2.662 30 50 CFEA Cc1ccc(N[C@@]2(C#N)C(=O)Nc3ccccc32)cc1 445733 LOQUXPIMUMSWFA-MRXNPFEDSA-N 263.300 2.778 30 50 CFEA C=CCNC(=O)Nc1cccc(Br)c1 2167721 VZIWYOFBJGSAOR-UHFFFAOYSA-N 255.115 2.757 30 50 CFEA N#Cc1cc[n+](CC(=O)c2ccc3ccccc3c2)cc1 3136895 RSWWCXSFHGUULT-UHFFFAOYSA-N 273.315 2.882 30 50 CFEA C=CCn1c(=S)[nH]c2sc(CC)cc2c1=O 3276945 ODLOVJGPCXJVBF-UHFFFAOYSA-N 252.364 2.869 30 50 CFEA C=CCOc1ccc(C(=O)NCc2ccncc2)cc1 4841700 XTZPFURBWUVEPB-UHFFFAOYSA-N 268.316 2.576 30 50 CFEA Cc1cccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)c1 9225533 OPLQJJPLUISTOO-ZBEGNZNMSA-N 294.358 2.855 30 50 CFEA N#Cc1cccc(/C=C/C(=O)N2CC[C@@H]3OCCC[C@H]3C2)c1 119983718 IFJJSKDHJYIALO-SGUAIBKKSA-N 296.370 2.599 30 50 CFEA CCN(C(=O)c1cncnc1)c1ccc(C#N)c(Cl)c1 354767497 VSDIMZXONRODSY-UHFFFAOYSA-N 286.722 2.668 30 50 CFEA Cc1nsc(N[C@H](C)Cc2c(C)noc2C)c1C#N 287181019 GSYYZPBKLCSMSK-SSDOTTSWSA-N 276.365 2.971 30 50 CFEA O=[N+]([O-])c1ccccc1N=Cc1cccc([N+](=O)[O-])c1O 254293165 MERBIIIKTPYQQH-UHFFFAOYSA-N 287.231 2.959 30 50 CFEA C=C[C@H](C)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 167458305 RDWFZORAHQFFHB-QWHCGFSZSA-N 268.401 2.940 30 50 CFEA N#Cc1ccc(OC[C@H](O)C2CCCCC2)c([N+](=O)[O-])c1 191365431 CCESJKNGRXVMKM-AWEZNQCLSA-N 290.319 2.786 30 50 CFEA CC(C)(C)c1noc(C2CN(c3ccccc3C#N)C2)n1 585133615 NMNKJNDCXKFVAM-UHFFFAOYSA-N 282.347 2.843 30 50 CFEA CCOc1cc(C#N)ccc1OC[C@@H]1C[N@]1C1CCC1 1875381719 FNRUJJRGUGKDGF-KBXCAEBGSA-N 272.348 2.572 30 50 CFEA C#CCOC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1 2983211 ZIZVJVHQPRGCFX-UHFFFAOYSA-N 297.354 2.811 30 50 CFEA biogenic COc1ccccc1/C=N/Nc1nccnc1Cl 4947206 CYPFZMCBQXVITP-LZYBPNLTSA-N 262.700 2.585 30 50 CFEA CCc1cn[nH]c1C1CCN(c2nc(C)ccc2C#N)CC1 67804474 AUCDZOKWDZWSMY-UHFFFAOYSA-N 295.390 2.931 30 50 CFEA CC1(C)OB(c2ccc(C#N)cc2Cl)OC1(C)C 199179188 AGVDMZNQFRCYMD-UHFFFAOYSA-N 263.533 2.511 30 50 CFEA N#C[C@H]1CC[C@@H](N2C[C@@H](C#N)[C@H](c3ccccc3)C2)C1 293540852 KFGAHHCVWCKSEZ-SVGFKBNWSA-N 265.360 2.918 30 50 CFEA CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1N 208356824 YTSUGNUIHVCVEL-UHFFFAOYSA-N 261.174 2.691 30 50 CFEA C=CCn1c(=N)n(CC(=O)c2ccccc2)c2ccccc21 19757377 ONRXABULYAHOMS-UHFFFAOYSA-N 291.354 2.991 30 50 CFEA CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H]1CO1 4977933 NVPOUMXZERMIJK-CHWSQXEVSA-N 263.337 2.521 30 50 CFEA in-vitro CC#CCN[C@@H](C)c1nc(-c2ccc(F)cc2)no1 328587363 HETDONUKGWSOQM-JTQLQIEISA-N 259.284 2.550 30 50 CFEA Cc1cc2nnc(S[C@@H](C#N)C3CCCC3)n2c(C)n1 952994764 LTYMSCYLLRDIRU-LBPRGKRZSA-N 287.392 2.916 30 50 CFEA Cc1ccc2c(C)[n+](CC(=O)c3ccccc3)ccn12 1805072 ZXCHXENLMKUYMZ-UHFFFAOYSA-N 265.336 2.727 30 50 CFEA O=[N+]([O-])c1ccc(/C(=N/O)Nc2ccccc2)cc1 4955377 WQCNJFOUQZHSOW-UHFFFAOYSA-N 257.249 2.843 30 50 CFEA COCCC[C@H]1CCCCN1C(=O)c1ccccc1C#N 82125457 QABZBEXOWPTBDH-OAHLLOKOSA-N 286.375 2.980 30 50 CFEA CO[C@@H]1[C@H]2C[C@@H]3CN(c4snc(Cl)c4C#N)[C@@H]1[C@H]3C2 242038567 VMFIUTPDQTVPFO-BOYPTNNESA-N 295.795 2.528 30 50 CFEA COCCC[C@@H]1CCCN(C(=O)c2ccccc2C#N)C1 82108292 DMKIEVGIKLEASQ-AWEZNQCLSA-N 286.375 2.837 30 50 CFEA Cc1nn2c(O)nncc2c1-c1ccc(C(C)(C)C#N)cc1 426536589 YYSBJUTUMMTDCC-UHFFFAOYSA-N 293.330 2.607 30 50 CFEA C[C@@H]1CCC[C@@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C1 298486813 WPDFAPJWHMIZRH-RHSMWYFYSA-N 299.418 2.685 30 50 CFEA CCc1cccc(NC(=O)CN2CCC(C)(C#N)CC2)c1 272501005 DPLVPOZFTLDFFO-UHFFFAOYSA-N 285.391 2.813 30 50 CFEA O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CO1 1875372817 NEAVCSMEUMIBTP-HNNXBMFYSA-N 287.290 2.633 30 50 CFEA CCOc1cncc(CNc2ccc(C#N)cc2)c1 2325852207 WHWXYSKBNIOVQJ-UHFFFAOYSA-N 253.305 2.964 30 50 CFEA C#C[C@]1(OC(=O)c2ccccc2)C[C@@H](C)N(C)C[C@H]1C 4011752 OASDVQSPONGSRY-CPUCHLNUSA-N 271.360 2.576 30 50 CFEA COc1ccc(/C=N/Nc2ccccn2)cc1OC 4815223 WEVXWRHMOLCJHK-MHWRWJLKSA-N 257.293 2.545 30 50 CFEA COP(=O)(/N=C(\O)C(Cl)(Cl)Cl)OC 6793115 FGXOGRSGUNCHQL-UHFFFAOYSA-N 270.436 2.714 30 50 CFEA Cc1c(CCC(=O)O)c(C)n2c(nc3ccccc32)c1C#N 7425233 UDMOPJATVYWTHA-UHFFFAOYSA-N 293.326 2.993 30 50 CFEA CN(Cc1ccc(C#N)cc1)Cc1cc(C2CC2)n[nH]1 215460003 RTCRVRLVHLBEBT-UHFFFAOYSA-N 266.348 2.791 30 50 CFEA C[C@H](C#N)CN[C@H]1CC[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 1365567327 CLAQMLLVLQHHSJ-RFGFWPKPSA-N 293.411 2.524 30 50 CFEA C=CCc1cc(CN2CC[C@H](OC)C2)ccc1OC 670461279 PNFYFXPCBGAZFD-HNNXBMFYSA-N 261.365 2.644 30 50 CFEA Oc1cccc(/C=N/N2CCN(c3ccccc3)CC2)c1 136428 IAHBIDVTYVCLIU-NBVRZTHBSA-N 281.359 2.548 30 50 CFEA COc1cnc(N/C(O)=N/C[C@@H]2CC=CCC2)s1 330491883 PWIPLEYLEBCYNF-SECBINFHSA-N 267.354 2.834 30 50 CFEA N#Cc1nc(-c2ccccc2)oc1N1CCC[C@H](C(=O)O)C1 1857800273 IJIVZBYWXCVMNT-LBPRGKRZSA-N 297.314 2.514 30 50 CFEA C=CCc1c(C)nc(N)nc1N1CCC[C@@H](CSC)C1 95355765 JLORMKZPGRLIMQ-GFCCVEGCSA-N 292.452 2.675 30 50 CFEA C[C@@H]1C2=C([C@H]3C=C[C@H]2C3)[C@H](C)[C@H]2C(=O)C=CC(=O)[C@@H]12 230118776 HOXQAINAQSRQIE-FQWVVEQPSA-N 254.329 2.715 30 50 CFEA C[C@@H](Nc1nc(Cl)c(C#N)s1)c1ncc[nH]1 235217375 NICYXTQBBXVVJN-RXMQYKEDSA-N 253.718 2.564 30 50 CFEA Cc1ccc(/C(N)=N/OC(=O)c2cccc(F)c2)cc1 13130433 HOHVJCDYOJBEQV-UHFFFAOYSA-N 272.279 2.611 30 50 CFEA C=CCNCCCCOc1ccc(C)cc1[N+](=O)[O-] 3000785 VEOLXQJODKLJIN-UHFFFAOYSA-N 264.325 2.838 30 50 CFEA COC(=O)[C@@H](B1OC(C)(C)C(C)(C)O1)c1ccc(F)cc1 170008342 VOSWTOCUZFKLTP-LBPRGKRZSA-N 294.131 2.714 30 50 CFEA O/C(Cc1ccccc1F)=N/C[C@@H]1CCn2ccnc2C1 328624378 JUWOSZOLNLSNLZ-GFCCVEGCSA-N 287.338 2.784 30 50 CFEA CC[C@](C)(O)C#CCN1CCCC[C@H]1c1cccnc1 248167158 PBBIQOCFTHAXMX-IRXDYDNUSA-N 272.392 2.773 30 50 CFEA biogenic N#Cc1c(-c2ccco2)c2ccc(O)cc2oc1=O 253471655 WVIPOKFNHNOTQM-UHFFFAOYSA-N 253.213 2.630 30 50 CFEA Cn1c(S[C@@H]2CC[C@@H](C#N)C2)nnc1-c1cccnc1 278551031 LMYCSCISLHCQEQ-ZYHUDNBSSA-N 285.376 2.661 30 50 CFEA Cc1ccc(C(=O)/C=C/C(=O)N2CCCSCC2)cc1 585121904 FOYDOZJCOJTBTC-BQYQJAHWSA-N 289.400 2.699 30 50 CFEA C=CCN1C(=O)S/C(=C/c2ccc(C(=O)O)cc2)C1=O 12343680 GXSXRZHYMCEPNV-DHZHZOJOSA-N 289.312 2.607 30 50 CFEA C/C(=N\N=C1\CCCCCN1)c1ccc([N+](=O)[O-])cc1 5479943 YYZJDNNPIGPDIC-LFIBNONCSA-N 274.324 2.881 30 50 CFEA C#CCCC1(CCC(=O)N2CCC[C@](C)(OC)CC2)N=N1 952880363 FYUAEBMXGHCACP-HNNXBMFYSA-N 291.395 2.760 30 50 CFEA Cc1nc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)n[nH]1 1775987779 IQHISGPIEAATOW-BMIGLBTASA-N 281.363 2.713 30 50 CFEA CCc1nc(C#N)cc(N(C)[C@@H](C)c2ccccn2)n1 408524533 VINZOGWGZFBJFO-NSHDSACASA-N 267.336 2.503 30 50 CFEA Cc1nn(-c2nc3ccccc3s2)c(O)c1CCC#N 100134608 KTGFJMXHOLHDQA-UHFFFAOYSA-N 284.344 2.952 30 50 CFEA CC(C)c1nnc(/N=C(\O)CN2CCC[C@@H](C)C2)s1 20725707 RZMGFXAGPXNIBJ-SNVBAGLBSA-N 282.413 2.981 30 50 CFEA C=CC[C@@H](C(=O)NCc1nn(C)cc1C)c1ccccc1 1615605994 QZPYUBLATPEKAD-OAHLLOKOSA-N 283.375 2.705 30 50 CFEA Cc1ccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)cn1 611095792 JLQZASVYKQKJGB-JTQLQIEISA-N 258.325 2.546 30 50 CFEA CN(Cc1ccc(C#N)cc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529195432 KREVJCGKRPTLLR-WNKDZCFJSA-N 270.376 2.540 30 50 CFEA O=C1Oc2ccccc2C(=O)/C1=C/c1ccccc1O 13113607 CXOKVBPWTHFGTN-XFXZXTDPSA-N 266.252 2.578 30 50 CFEA C=CCc1cc(CN[C@H](CC)CO)cc(OC)c1OCC 13731178 PBUWUAWCWKJENX-OAHLLOKOSA-N 293.407 2.683 30 50 CFEA N#Cc1cc(Cl)ccc1I 15443803 JNVZEQIFNGDCMH-UHFFFAOYSA-N 263.465 2.816 30 50 CFEA CCn1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 200489502 DFMLPMRSWUYZRW-UHFFFAOYSA-N 271.169 2.960 30 50 CFEA CC(C)c1ccc2[nH]ncc2c1B1OC(C)(C)C(C)(C)O1 204963635 OZRISQNUHBSIMT-UHFFFAOYSA-N 286.184 2.986 30 50 CFEA C=CCN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 5517557 AQRQZLMUXNXUNH-DHZHZOJOSA-N 290.300 2.817 30 50 CFEA CC(=O)Nc1scc(-c2ccc3c(c2)OCO3)c1C#N 240511 BPPCGOYKILJXCH-UHFFFAOYSA-N 286.312 2.974 30 50 CFEA N#Cc1c(N)c(Br)cc(Br)c1F 4290343 OSUXGJAGFDDVLA-UHFFFAOYSA-N 293.921 2.805 30 50 CFEA C=CCSc1nnc(NC(=O)C2CCCC2)s1 6834157 VTCJLFNLWPDKEY-UHFFFAOYSA-N 269.395 2.945 30 50 CFEA C=CCN1CCN(C(=O)c2csc3c2CCCC3)CC1 55062687 WQHHVOWBDIJCRE-UHFFFAOYSA-N 290.432 2.571 30 50 CFEA CC(C)c1noc([C@@H]2CCCN2c2cccc(C#N)n2)n1 1529119104 SDYUWHSWHPSMLX-LBPRGKRZSA-N 283.335 2.801 30 50 CFEA Cc1cc2cccc(B3OC(C)(C)C(C)(C)O3)c2n1C 2325903861 UZPULUFTZAGYHZ-UHFFFAOYSA-N 271.169 2.786 30 50 CFEA N#C[C@H](C(=O)COc1ccccc1)c1ccccc1 573942 KAJYTIRBEIARTG-HNNXBMFYSA-N 251.285 2.942 30 50 CFEA CCCCCCCCCCNC(=S)NCCO 100684586 HNMJUSWQMKEQEV-UHFFFAOYSA-N 260.447 2.584 30 50 CFEA N#CCC(=O)N1CC[C@@H](Cc2cccc(Cl)c2)C1 368373371 DBKQAMWENDLPKA-LBPRGKRZSA-N 262.740 2.645 30 50 CFEA Cc1nsc(N2CC[C@H](c3ccncc3)C2)c1C#N 599101172 MFPWBORCYKVFTF-LBPRGKRZSA-N 270.361 2.712 30 50 CFEA O=C[C@]12[C@H]3O[C@@H]4CC[C@H]5[C@H]1[C@@H]1[C@H]6[C@@H]([C@@H]3[C@@H]1[C@@H]54)[C@@H]1CC=C[C@@H]1[C@@H]62 254821237 GVVNEXCWLFFAGP-IRTGFURASA-N 294.394 2.539 30 50 CFEA C[C@H](N[C@H](C)c1cccc(C#N)c1)c1nccn1C 611393328 CJIBBABWDSAKIO-NEPJUHHUSA-N 254.337 2.704 30 50 CFEA C[C@@]1(C#N)CCCN(CCOCc2ccccc2)C1 595427969 VMRFQLNSNAJTHZ-INIZCTEOSA-N 258.365 2.829 30 50 CFEA C=CCn1c(S)nnc1COc1cccc(C)c1 6556995 DZKXSFKUJGREGM-UHFFFAOYSA-N 261.350 2.640 30 50 CFEA in-vitro C=CCN1C(=O)/C(=C/c2ccc(C)o2)SC1=S 13785362 DKULLYNEUUCRLV-YFHOEESVSA-N 265.359 2.975 30 50 CFEA C#C[C@@H]1CCCCN1C(=O)c1ccc(-c2cn[nH]c2)cc1 1123984036 QWHAQPQLTGJTRW-MRXNPFEDSA-N 279.343 2.705 30 50 CFEA CN(C(=O)[C@H]1CO1)C(c1ccccc1)c1ccccc1 1875372265 BGMJMFAYNVEABP-OAHLLOKOSA-N 267.328 2.633 30 50 CFEA Cc1nc(N2CC[C@@H](c3ccncc3)C2)ccc1C#N 599102725 RAEILBZGPZYANU-OAHLLOKOSA-N 264.332 2.651 30 50 CFEA C=CCNC(=O)Nc1ccc(C)c(NC(=O)NCC=C)c1 2165859 YPXIYPSQCNQEEL-UHFFFAOYSA-N 288.351 2.610 30 50 CFEA CCCCCCCCn1ncc(O)c(Cl)c1=O 2865216 UIBCJJGPGDNUNK-UHFFFAOYSA-N 258.749 2.963 30 50 CFEA Cc1cc(C)c(C#N)c(SCC(=O)OC(C)C)n1 3878643 AOHOTHWDAOLMCC-UHFFFAOYSA-N 264.350 2.614 30 50 CFEA CN(C)c1ccn2c(nc3c(F)cccc32)c1C#N 1382088 NYWIQLLOFIHMLO-UHFFFAOYSA-N 254.268 2.564 30 50 CFEA O=C(NC1CCC1)c1ccc(C#Cc2cccc(F)c2)nc1 66138253 NEMHWVUKNWAKTM-UHFFFAOYSA-N 294.329 2.903 30 50 CFEA in-vitro CC(C)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O 328578212 DHXKRMSKXLDZGY-UHFFFAOYSA-N 278.315 2.685 30 50 CFEA in-vitro CC1(C)CCCN(C(=O)c2cc(F)ccc2O)[C@H]1C#N 277617965 VYQAKTPYRPHSQJ-ZDUSSCGKSA-N 276.311 2.686 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1CCCc1ccccc1 14879267 MDTKPVBRNGFPME-QGZVFWFLSA-N 286.419 2.776 30 50 CFEA CN1CCN(/C(S)=N/c2ccccc2Cl)CC1 8828829 FJTLBTQSROHZAD-UHFFFAOYSA-N 269.801 2.505 30 50 CFEA C#CCCC1(CCC(=O)NC2CC3(C2)CC3(F)F)N=N1 952881744 PSMZEWJCJQFKMA-UHFFFAOYSA-N 281.306 2.646 30 50 CFEA CC(=O)c1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2o1 2325904071 STKMRABFAQLRMU-UHFFFAOYSA-N 286.136 2.935 30 50 CFEA Cc1cc(C)cc(NC(=O)C[n+]2cn(C)c3ccccc32)c1 2532601 DAZLAWNQIYEMRL-UHFFFAOYSA-O 294.378 2.721 30 50 CFEA C=CCOc1ccc(C(=O)NCc2cccnc2)cc1 4842283 ILCGFBCHBACNNT-UHFFFAOYSA-N 268.316 2.576 30 50 CFEA Cc1oc(C#N)cc1-c1nc(-c2ccncc2)no1 345644677 JDDQTCKFHDRLFD-UHFFFAOYSA-N 252.233 2.572 30 50 CFEA CCOc1c(N)cc(Cl)cc1B1OC(C)(C)C(C)(C)O1 170008197 PIUGLTRVESDIOO-UHFFFAOYSA-N 297.591 2.620 30 50 CFEA COC/C(O)=N/Cc1nc2cc(Br)ccc2o1 328591861 ZDXVORHYESGQRB-UHFFFAOYSA-N 299.124 2.693 30 50 CFEA Cn1cc(-c2cccc(C(F)(F)F)c2)cc(C#N)c1=O 3133659 RDCYFAKSVLWIFI-UHFFFAOYSA-N 278.233 2.943 30 50 CFEA C=CCNC(=S)NC12CC3CC(CC(C3)C1)C2 4948823 HLNJIDTYNQWAPT-UHFFFAOYSA-N 250.411 2.605 30 50 CFEA biogenic C#C[C@@H](NC(=O)NCc1ccc(NCCC)cc1)C(C)C 239761249 CJIFLOXXFFPXET-MRXNPFEDSA-N 287.407 2.966 30 50 CFEA C=CC[C@@]1(CO)CCCN(Cc2ccc(F)c(OC)c2)C1 91860193 LKYWOONJYYZLSW-QGZVFWFLSA-N 293.382 2.985 30 50 CFEA CCCCSc1nc(N)cc(N2CCC[C@H](C#N)C2)n1 95381300 OBBFUIGPVOIDHB-LLVKDONJSA-N 291.424 2.691 30 50 CFEA O=C[C@@]12[C@H]3[C@H]4[C@@H]5[C@H]6[C@@H]7[C@@H]8C[C@H]([C@@H]9[C@@H]8[C@H]6[C@H]4[C@@H]91)[C@@H]2[C@@H]1C[C@H]7[C@H]5[C@@H]13 257357821 QERQQRCTVDBZKG-WIBUEWKLSA-N 290.406 2.563 30 50 CFEA CN(C)C(=O)c1cccc(-c2ccc(C#N)cc2)c1 85477114 PLDUDKRUOJZFAK-UHFFFAOYSA-N 250.301 2.927 30 50 CFEA in-vitro C=CCCC(=O)N1[C@@H](C(=O)OC)CC[C@@H]1c1ccccc1 170611774 VIVPNWJHARPWNU-HUUCEWRRSA-N 287.359 2.858 30 50 CFEA N#Cc1cn(C[C@H]2CCOC2)c2ccc(Cl)cc2c1=O 170638492 GWVOIJYIHZNWKM-SNVBAGLBSA-N 288.734 2.563 30 50 CFEA C#CCCC1(CCC(=O)N2CC[C@@H](c3ccncc3)C2)N=N1 952880040 ISZKVOHSIUKLCE-OAHLLOKOSA-N 296.374 2.753 30 50 CFEA Cc1csc2c1CN(C(=O)C1(C#N)CC=CC1)CC2 1875276078 KVDZWMJUBGWXRZ-UHFFFAOYSA-N 272.373 2.801 30 50 CFEA Cc1nnc(C)n1/N=C/c1ccccc1Br 228430 UAMYHHSZIOWEGB-NTUHNPAUSA-N 279.141 2.540 30 50 CFEA Cc1nc(N)sc1CCB1OC(C)(C)C(C)(C)O1 170005731 QWLIQEXLACTLQA-UHFFFAOYSA-N 268.191 2.668 30 50 CFEA Cc1nnc(Sc2ncc3ccccn23)c(C#N)c1C 253418203 MLGBUHQXNQEJIB-UHFFFAOYSA-N 281.344 2.764 30 50 CFEA C#CCN1CC[C@@](OC(=O)CC)(c2ccccc2)[C@@H]1C 216002380 KLGHDMOBCKWGTK-YOEHRIQHSA-N 271.360 2.563 30 50 CFEA CC1=CC[C@]2(CC#N)c3ccccc3C(=O)C(=O)[C@H]2C1 71778733 UGRGYXKVSTVLAK-PBHICJAKSA-N 265.312 2.960 30 50 CFEA C[C@@H](CCc1ccccc1)N1CCCn2nc(C#N)cc2C1 670458618 YQROHYZZDWUZBM-HNNXBMFYSA-N 294.402 2.982 30 50 CFEA C[C@H]1CN(Cc2ccc(C#N)cc2)CC[C@]1(O)C1CC1 1565513344 DJPBZIQOQLOXIV-SUMWQHHRSA-N 270.376 2.541 30 50 CFEA COc1ccc(CN(C)c2cnccc2C#N)cc1F 754673046 TVHIYZLZOMDMTN-UHFFFAOYSA-N 271.295 2.737 30 50 CFEA C=CCn1c(O)nnc1SCc1nc(C(C)(C)C)co1 952992284 JKEFZUWJQWTPAD-UHFFFAOYSA-N 294.380 2.748 30 50 CFEA C=CCN(CC=C)C(=O)c1ccc(OC)c(OC)c1 240650 GAIVNVWOFPRJRN-UHFFFAOYSA-N 261.321 2.518 30 50 CFEA O=C1CC(/N=C/c2cccc(O)c2)=NN1c1ccccc1 4989652 WCKFKAVLUIVQMD-GZTJUZNOSA-N 279.299 2.562 30 50 CFEA CC1(C)OB(c2ccc3ccc(O)cc3c2)OC1(C)C 306495203 BNVPIKXFHBYFKI-UHFFFAOYSA-N 270.137 2.845 30 50 CFEA CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1cccc(O)c1 100429662 GHQVISHSPGEKTJ-SDXDJHTJSA-N 294.314 2.583 30 50 CFEA CC(Nc1cc(C)on1)=C1C(=O)c2ccccc2C1=O 2582134 HXZWBLXWCQCZEU-UHFFFAOYSA-N 268.272 2.748 30 50 CFEA C=CC[C@@]1(C(=O)O)CCCN(Cc2cccs2)C1 91411759 FHYFMLYVMYJJOJ-CQSZACIVSA-N 265.378 2.991 30 50 CFEA C=C(C)C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12 253389826 NCRJWESTCYMYTR-SQWLQELKSA-N 252.378 2.515 30 50 CFEA biogenic C=C(C)CSc1nc(=O)cc(N)n1-c1ccc(F)cc1 4834507 DOVWSGHLSYSXSF-UHFFFAOYSA-N 291.351 2.622 30 50 CFEA O=C/C(Cl)=N/Nc1ccc(Br)cc1 100009684 OHLOPSVBMLNQSD-WQLSENKSSA-N 261.506 2.612 30 50 CFEA N#Cc1ccccc1-c1nc(Cc2ccccc2)n[nH]1 65458298 DLWWIWCWSRICCO-UHFFFAOYSA-N 260.300 2.934 30 50 CFEA c1ccc(C(CB2OCCNCCO2)c2ccccc2)cc1 197249391 ZHURKSONLXTDNH-UHFFFAOYSA-N 295.191 2.943 30 50 CFEA N#CC1CCN(C(=O)CC2Cc3ccccc3C2)CC1 244742030 OATZMSCJPJQHIU-UHFFFAOYSA-N 268.360 2.554 30 50 CFEA N#Cc1[nH]c(=NCC2CCSCC2)sc1Cl 408523830 NWKZREIZEXYDNF-UHFFFAOYSA-N 273.814 2.645 30 50 CFEA COC(=O)C[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 201637005 DLYXGJDLUDBFPW-NSHDSACASA-N 280.173 2.907 30 50 CFEA in-vitro Cc1nc(C/C(O)=N/Cc2nnc(C3CC3)o2)c(C)s1 329376179 LGNHQEMNQGQFDJ-UHFFFAOYSA-N 292.364 2.720 30 50 CFEA N#Cc1cccc(CCNC(=O)NCc2ccccc2F)c1 253396754 BWNBPORGAAEYQX-UHFFFAOYSA-N 297.333 2.739 30 50 CFEA CCOc1cc(C#N)ccc1OC[C@H]1C[N@@]1C1CCC1 1875381720 FNRUJJRGUGKDGF-KDOFPFPSSA-N 272.348 2.572 30 50 CFEA C#C[C@]1(OC(=O)c2ccccc2)C[C@H](C)N(C)C[C@H]1C 4011753 OASDVQSPONGSRY-KEYYUXOJSA-N 271.360 2.576 30 50 CFEA O=C(O)c1cc(/C=N\O)ccc1OCc1ccccc1 4902133 BSLSASRXEZEIAB-SXGWCWSVSA-N 271.272 2.772 30 50 CFEA Cc1cccc(/C(N)=N/OC(=O)c2ccccc2F)c1 4958102 MHWXCZMOLLFFLJ-UHFFFAOYSA-N 272.279 2.611 30 50 CFEA Cc1csc(CN2CCN(c3ccccc3C#N)CC2)n1 88593117 LGPLOWARLYPBJU-UHFFFAOYSA-N 298.415 2.645 30 50 CFEA CC1(C)[C@@H]2C[C@@H]1CC1=C2[C@H]2C[C@H]1[C@@H]1C(=O)C=CC(=O)[C@@H]21 257356434 IAAHNVXYNAOIFL-GYRFLUNWSA-N 268.356 2.939 30 50 CFEA Cc1nnc(C)n1/N=C/c1cc(Br)ccc1F 5204588 UFNYKMAJCFCLOM-MKMNVTDBSA-N 297.131 2.679 30 50 CFEA C=CCC(=O)N[C@H]1CCCN(CC2CCCCC2)C1 12703983 LOVBGKQCRRJWHY-HNNXBMFYSA-N 264.413 2.723 30 50 CFEA CCc1nn(Cc2csc(C)c2)c(=O)c(C#N)c1CC 585119172 VEDWXJNSZPSPQF-UHFFFAOYSA-N 287.388 2.658 30 50 CFEA O=CN1CCC[C@@H]1C(O)=Nc1cccc(C(F)F)c1 328599248 QWEVDXSUCWUCBX-LLVKDONJSA-N 268.263 2.833 30 50 CFEA C=CCN1CCC(N[C@@H]2CCCC23CCOCC3)CC1 252508911 XXFOYSODNXMYRU-MRXNPFEDSA-N 278.440 2.576 30 50 CFEA N#C[C@@H](C(=O)Nc1ccccc1F)c1ccc(F)cn1 122024989 MMMNYFYIPFJPQS-SNVBAGLBSA-N 273.242 2.606 30 50 CFEA N#Cc1ccccc1C(=O)NC[C@@H]1CCN(C2CCCC2)C1 299757050 IDCKCLLLSASJCD-AWEZNQCLSA-N 297.402 2.553 30 50 CFEA CCC#CCN1CCC[C@H](CNC(=O)c2cccs2)C1 952986996 DIPZXCWVKSVTBT-CQSZACIVSA-N 290.432 2.603 30 50 CFEA CC1(C)OB(c2cc(Cl)c(F)cc2F)OC1(C)C 169808002 BSMXVFVYXLZVKL-UHFFFAOYSA-N 274.503 2.917 30 50 CFEA in-vitro C=CCn1c(=N)n(C[C@@H](O)C(C)(C)C)c2ccccc21 19771380 UPCOAWBOZPGUJV-CQSZACIVSA-N 273.380 2.515 30 50 CFEA CCn1nccc1/C=C(\F)B1OC(C)(C)C(C)(C)O1 1772716245 BLRQCQMBRXLYBU-LUAWRHEFSA-N 266.125 2.845 30 50 CFEA Cc1cc(-c2cn(-c3cccc(C#N)c3)nn2)cnc1F 2325818313 WGENAPYZBGNEIM-UHFFFAOYSA-N 279.278 2.649 30 50 CFEA N#CCc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 555151 CMLMCZPFBYKWIP-UHFFFAOYSA-N 295.298 2.842 30 50 CFEA NC(N)=Nc1nc2ccc(Oc3ccccc3)cc2s1 85389200 VFIZKKOVKGMZBQ-UHFFFAOYSA-N 284.344 2.994 30 50 CFEA C=C(CO[C@@H]1CCCCO1)CO[C@@H]1CCCCO1 45071935 VGPBPFWGWVBRPL-ZIAGYGMSSA-N 256.342 2.629 30 50 CFEA C[C@H]1CCC[C@@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C1 298486828 WPDFAPJWHMIZRH-WMLDXEAASA-N 299.418 2.685 30 50 CFEA CCOC(=O)c1cc(C#N)cc(Br)c1F 263623761 KNDZBGVJTYGUGL-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA C=CC[C@H]1CC=C[C@H](C)N1Cc1c(CO)cnc(C)c1O 212237485 ZGTPUGSIRKVESO-WFASDCNBSA-N 288.391 2.683 30 50 CFEA CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2C1 38777776 AEGRRYPLKCPBBE-UHFFFAOYSA-N 258.321 2.851 30 50 CFEA CC(C)(C)[C@H]1OCC[C@@H]1C/N=C(/O)[C@@H]1CCC(O)=NC1 328608990 BVOZBPVMVINBFA-WZRBSPASSA-N 282.384 2.761 30 50 CFEA N#Cc1cccc(COc2ccc([N+](=O)[O-])c(N)c2)c1 239882264 DAUHSDFBYORREA-UHFFFAOYSA-N 269.260 2.628 30 50 CFEA C=CCCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 264020377 HKMFKSUYIFGRIF-UHFFFAOYSA-N 284.359 2.894 30 50 CFEA C#CC1(F)CCN(C(=O)OCc2ccccc2)CC1 147518089 GUSZYKICGPJATC-UHFFFAOYSA-N 261.296 2.761 30 50 CFEA Cc1ccc(S(=O)(=O)NN=C2CCC(C)CC2)cc1 4372914 YYCXCTNTIMWIJX-UHFFFAOYSA-N 280.393 2.839 30 50 CFEA C#CCOc1ccc(C(=O)N2CCc3ccccc32)cc1 6744742 ORKIKAWXKRQNRS-UHFFFAOYSA-N 277.323 2.902 30 50 CFEA C=C(C)COc1ccc(C(=O)NC[C@H]2CCCO2)cc1 6745143 QJFVALHRYDEUQM-OAHLLOKOSA-N 275.348 2.550 30 50 CFEA C/C(=N\N=C\c1cccnc1)C1C(=O)c2ccccc2C1=O 100853388 QLXPPRFFSCNWRX-ROUMAOROSA-N 291.310 2.572 30 50 CFEA C=CC[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 34770273 KGNFKGYDULMDJQ-RYUDHWBXSA-N 257.374 2.863 30 50 CFEA CC(C)(C)OC(=O)N[C@H](/C=N/O)Cc1ccccc1 35287547 OLINQFXDWRSOSY-XBUHWIKASA-N 264.325 2.582 30 50 CFEA Cc1cc(C)c2[nH]c(CN3CCC(C#N)CC3)cc(=O)c2c1 91468972 BSDANLHTXOXJCO-UHFFFAOYSA-N 295.386 2.881 30 50 CFEA O=C1C(Cl)=C(Cl)[C@@H]2[C@@H]1[C@H]1C=C(Cl)[C@@]2(Cl)C1=O 254615967 RDFNEVSQEPGJFK-OACRJVNGSA-N 297.952 2.804 30 50 CFEA N#CC1(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CC1 585089321 DYTRBJYTNOTXIG-JOYOIKCWSA-N 278.714 2.755 30 50 CFEA CC1(C)OB(c2cnc(C3CC3)c(Cl)c2)OC1(C)C 201674370 SDOGLYRGZRBFLX-UHFFFAOYSA-N 279.576 2.912 30 50 CFEA in-vitro Cc1cccc(/C=N/n2c(S)nnc2-c2cccnc2)c1 1253530 UEQCDGLOACUOIV-RQZCQDPDSA-N 295.371 2.819 30 50 CFEA CCOc1cc(/C=N/OCc2ccco2)ccc1O 5673278 JHGHDPQCECPDSV-OQLLNIDSSA-N 261.277 2.935 30 50 CFEA CC#CC(=O)N(Cc1ccc[nH]1)c1ccc(N(C)C)cc1 1875363058 BQPRGOHIOGDWFF-UHFFFAOYSA-N 281.359 2.637 30 50 CFEA C=CC(=O)N(Cc1ccc2c(c1)CCO2)[C@@H]1CCC[C@@H]1C#N 1875388841 SDPHWGHANWEUHM-HZPDHXFCSA-N 296.370 2.828 30 50 CFEA COCCCNc1oc(-c2ccccc2F)nc1C#N 2481075 AALIMZKVFUIMTO-UHFFFAOYSA-N 275.283 2.801 30 50 CFEA Cc1nsc(N2CC[C@@]3(C)[C@H](C2)C3(F)F)c1C#N 291955311 NTFZUTLUSNGTHM-ONGXEEELSA-N 269.320 2.805 30 50 CFEA N#CCc1ccc(Br)nc1C(F)(F)F 238580665 MBKAUGJPYQLNFV-UHFFFAOYSA-N 265.032 2.929 30 50 CFEA CC1(C)OB(c2cc(F)cc(Cl)c2)OC1(C)C 169956719 ZYWCNKHMEUXNGS-UHFFFAOYSA-N 256.513 2.778 30 50 CFEA in-vitro N#Cc1c(F)cccc1OC[C@@H]1CC2CCN1CC2 1857707035 XAADNXXUZNZALQ-LBPRGKRZSA-N 260.312 2.560 30 50 CFEA C=CCc1cc(CN[C@@H](CC)CO)cc(OC)c1OCC 13731176 PBUWUAWCWKJENX-HNNXBMFYSA-N 293.407 2.683 30 50 CFEA N#Cc1ccc(-c2cn(-c3ccc(Cl)cn3)nn2)cc1F 2325818270 AATFYDPUQGHCPA-UHFFFAOYSA-N 299.696 2.993 30 50 CFEA COc1ccc(-c2cn(-c3cccc(C#N)c3)nn2)cc1 2325820805 DDIJQRDGLWDPRU-UHFFFAOYSA-N 276.299 2.815 30 50 CFEA CCOc1ccc(-c2nc(C#N)c(NCCOC)o2)cc1 2371158 PIOCWBRHXSKWDY-UHFFFAOYSA-N 287.319 2.670 30 50 CFEA C[C@H]1CN(c2ccccc2C#N)C(=O)CN1CC1CCCC1 82134899 KQPKSKHXXVRPQI-AWEZNQCLSA-N 297.402 2.786 30 50 CFEA CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(c1snc(Cl)c1C#N)C[C@@H]3C2 242038569 VMFIUTPDQTVPFO-MVBDTIADSA-N 295.795 2.528 30 50 CFEA C=CCNCC[C@@H]1CCC(=O)N1[C@H](C)c1cccs1 14974362 WVCFSNJWSIGKSH-OLZOCXBDSA-N 278.421 2.966 30 50 CFEA CN(C(=O)c1cc2c(cn1)OCCC2)c1cccc(C#N)c1 253426928 ZULVRYBJINTPAX-UHFFFAOYSA-N 293.326 2.555 30 50 CFEA CC(C)(C)C1=CC(=NNC(N)=S)C=C(C(C)(C)C)C1=O 436499 OMAXYRLDEMVFQS-UHFFFAOYSA-N 293.436 2.703 30 50 CFEA Cc1c(F)cccc1NS(=O)(=O)c1ccccc1C#N 1062031 RLNWTINHPMBKEJ-UHFFFAOYSA-N 290.319 2.807 30 50 CFEA C=CCc1cc(OC)ccc1OCCCCNCCOC 3000777 WTMTVIJXBISJMV-UHFFFAOYSA-N 293.407 2.819 30 50 CFEA CC(C)c1cc(C(=O)Nc2ccc(C#N)cc2)no1 3908832 WXEURYKYRKCKRJ-UHFFFAOYSA-N 255.277 2.922 30 50 CFEA C=C(C)COc1ccccc1C(=O)NCC1(COC)CC1 55255493 DVWWVMSKAXWIJP-UHFFFAOYSA-N 289.375 2.798 30 50 CFEA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cccc(C#N)c1 67846861 DAZWSOHSXXHAIF-UHFFFAOYSA-N 296.374 2.851 30 50 CFEA COC(=O)c1cc(C#N)c(Oc2ccc(F)cc2)nc1C 1382953 ZIIFFSXJJBSJDV-UHFFFAOYSA-N 286.262 2.980 30 50 CFEA CC[C@H]1CN(Cc2cc(C#N)n(CC)c2)CCN1C(C)C 72162414 OXDMTMHEMLKHEL-INIZCTEOSA-N 288.439 2.684 30 50 CFEA C#CCOc1ccc([C@@H](C)Nc2cnn(C)c2)cc1 157368029 SCKHZJWBTVFENZ-GFCCVEGCSA-N 255.321 2.605 30 50 CFEA CC(C)c1ccc(C#N)c(N2CC(C)(C)[C@@](C)(O)C2)n1 91620282 HNKHKLQNWJZFIB-INIZCTEOSA-N 273.380 2.674 30 50 CFEA CNC(=O)[C@@H]1CCCC[C@H]1N[C@@H](C)c1cccc(C#N)c1 252570596 WWWCGELKLFDWBM-APHBMKBZSA-N 285.391 2.514 30 50 CFEA N#Cc1cnc(C2CC2)nc1N1CCC[C@H]1[C@@H]1CCCOC1 1875313077 GWOLGADHTNRWCQ-HIFRSBDPSA-N 298.390 2.621 30 50 CFEA O=C(C#Cc1ccccc1Cl)N1CCCC12CC2 2325804841 XBKRNYDUWJYBAQ-UHFFFAOYSA-N 259.736 2.847 30 50 CFEA C[C@@H]1O[S@](=O)OC1(c1ccccc1)c1ccccc1 135718 ACONWRLGPDTDKX-HXPMCKFVSA-N 274.341 2.944 30 50 CFEA C=C(C)CN(CC)Cc1cc([N+](=O)[O-])ccc1O 217919 URWZEDZQGLGFTE-UHFFFAOYSA-N 250.298 2.698 30 50 CFEA C=CCNC(=S)Nc1ccn(Cc2ccccc2C)n1 2809080 YLMVTZIOQHYILM-UHFFFAOYSA-N 286.404 2.712 30 50 CFEA N/C(=N\OC(=O)c1cccc(Cl)c1)c1ccccc1 4946034 KXUGUCXOCLFZDI-UHFFFAOYSA-N 274.707 2.817 30 50 CFEA CCc1cc(OC)ccc1B1OC(C)(C)C(C)(C)O1 307600762 RLDOSJLFRQTMMY-UHFFFAOYSA-N 262.158 2.557 30 50 CFEA Cc1ccc(/N=C/c2c(C)[nH]n(-c3ccccc3)c2=O)nc1 409415304 AAXULIVARSMPAO-YBFXNURJSA-N 292.342 2.928 30 50 CFEA CC1=CC(=O)C=C/C1=N/OC(=O)c1cccc2nc(C)oc12 1078144 KUSKYXKKTSTTEO-AQTBWJFISA-N 296.282 2.734 30 50 CFEA C=CCCSc1nnc(-c2ccc(Cl)cc2)n1N 128498584 HKFVPOGGJKCQTN-UHFFFAOYSA-N 280.784 2.981 30 50 CFEA N#C[C@@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(F)cc1 609044056 SIDQHSSIUHJXMS-HQRZJTNHSA-N 270.307 2.719 30 50 CFEA COc1nccc(-c2ccc(CN(C)C)cc2)c1C#N 96164162 CRLGKGOFCVBGAA-UHFFFAOYSA-N 267.332 2.690 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1CNCc1ccc(C#N)s1 275267298 IRQXAKQMRGJUOL-BXUZGUMPSA-N 264.394 2.770 30 50 CFEA Cn1c(S[C@H]2CC[C@@H](C#N)C2)nnc1-c1cccnc1 278551029 LMYCSCISLHCQEQ-PWSUYJOCSA-N 285.376 2.661 30 50 CFEA Cc1ccc(S(=O)(=O)N/N=C2/CCCC[C@@H]3C[C@H]23)cc1 1227737 ZMTYKAMKJZLDNS-OBWZAWMFSA-N 292.404 2.839 30 50 CFEA Oc1ccccc1/C=N\N1CCN(c2ccccc2)CC1 15685180 COUGRZCODVFOPO-JXAWBTAJSA-N 281.359 2.548 30 50 CFEA C#CCN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O 18275791 DJORWHJGOMMMTG-MDWZMJQESA-N 282.324 2.837 30 50 CFEA Cc1sc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C#N)c1C 101669063 YNJUGKHCEOIJOA-YRRQLQLVSA-N 298.367 2.548 30 50 CFEA CC(C)(C)C1=CC(=O)C(Cl)=C(Br)C1=O 3051865 SGSUULQTTHKOBI-UHFFFAOYSA-N 277.545 2.956 30 50 CFEA CC(O)=Nc1ccn([C@@H]2CCN(c3cc(C)ccn3)C2)n1 328612035 NNPRJFWAJBKAIS-CYBMUJFWSA-N 285.351 2.646 30 50 CFEA CC#CC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 764474446 ZXFXHOKNPWLUMF-UHFFFAOYSA-N 290.750 2.538 30 50 CFEA CC(C)OCc1cccc(-c2cc(C#N)n(C)n2)c1 1616040317 FZAAYCQTNYAPPE-UHFFFAOYSA-N 255.321 2.884 30 50 CFEA C=CCC[C@H](Cc1ccccn1)NCc1cnn(C)c1C 1616040780 DUFBICIQUNCFJS-QGZVFWFLSA-N 284.407 2.791 30 50 CFEA Cc1cc(C)c(C#N)c(N2CCC(Cn3cccn3)CC2)n1 134208874 SWFGMWOGMAAYAR-UHFFFAOYSA-N 295.390 2.683 30 50 CFEA CC#CC(=O)NCC1CC(c2ccc(Cl)cc2)C1 1875370138 CWEMCWVLNQLVAQ-UHFFFAOYSA-N 261.752 2.973 30 50 CFEA N#Cc1ccccc1OCC(=O)Nc1ccccc1 128721 RYHLGPBSONMESW-UHFFFAOYSA-N 252.273 2.576 30 50 CFEA COc1ccc(/C=N/Nc2cc(Cl)nc(C)n2)cc1 4947059 VMRBNYPAYPRKJU-OVCLIPMQSA-N 276.727 2.893 30 50 CFEA COc1ccc(/C=N/Nc2nccnc2Cl)cc1 4947202 IEBXVTKJNUUUJX-LZYBPNLTSA-N 262.700 2.585 30 50 CFEA C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc(F)c1 10339497 HFTGQWOCNDPRNF-BJOHPYRUSA-N 298.321 2.685 30 50 CFEA CC[C@H](C)CC(=O)Nc1ccc(-n2cc(C#N)c(N)n2)cc1 225630168 LBUYBYWBRVASRH-NSHDSACASA-N 297.362 2.701 30 50 CFEA O=[N+]([O-])c1ccc(/N=C/c2ccccc2O)c(O)c1 100456784 XIAUVVVPBGQLFT-RIYZIHGNSA-N 258.233 2.757 30 50 CFEA CCSc1cccnc1C(=O)NCC(C)(C)CC#N 458042114 NQJPUVOHVPORIM-UHFFFAOYSA-N 277.393 2.863 30 50 CFEA CC1(C)OB(C[C@H]2CCN(C(=O)CC3CC3)C2)OC1(C)C 1875368789 PRNDLVNZWKDJRR-CYBMUJFWSA-N 293.216 2.727 30 50 CFEA N#C[C@H]1CCCN(C(=O)c2cccc(OC(F)F)c2)C1 79825814 WDTGXSCDBJAMFF-SNVBAGLBSA-N 280.274 2.664 30 50 CFEA C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)\c1ccccc1 6514364 ANJYHOJJVBARTQ-LICLKQGHSA-N 288.314 2.952 30 50 CFEA C=CCN(Cc1ccccc1OCC)C(=O)c1ccnnc1 55369786 MIQGIGFVXMUROK-UHFFFAOYSA-N 297.358 2.704 30 50 CFEA CN(C)Cc1ccoc1/C(O)=N/[C@@H]1COc2ccccc21 328592758 MXBOTZJVTJVZND-CYBMUJFWSA-N 286.331 2.780 30 50 CFEA C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(OC2CCCC2)nc1 408519363 KDPUSIRJQNCKSX-ZBEGNZNMSA-N 285.347 2.891 30 50 CFEA N#Cc1cccc(NC(=O)N2CCSC[C@@H]2C2CC2)c1 585118998 MDGBDZAZFLFSAZ-CQSZACIVSA-N 287.388 2.918 30 50 CFEA C/C(NC(=O)c1ccccc1)=C1/C(=O)C[C@H]2[C@@H]1C2(C)C 4023249 AEGPEQPADQUZBA-MCGVVMAKSA-N 269.344 2.935 30 50 CFEA biogenic Cc1nnc(C)n1/N=C\c1cccc2ccccc12 5033749 NSUOHPSAKUZUFH-YBEGLDIGSA-N 250.305 2.930 30 50 CFEA CNc1oc([C@H]2C[C@H]2c2ccc(F)cc2)nc1C#N 1775976796 UXKFATQMIYTUJM-QWRGUYRKSA-N 257.268 2.998 30 50 CFEA Cc1ncncc1/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1 328612267 OEPYUJCKWLIOPJ-GDBMZVCRSA-N 297.358 2.867 30 50 CFEA N#Cc1cccc2c1CCN(c1nc(CO)ccc1Cl)C2 2325802691 UXIULNAXSWBPSM-UHFFFAOYSA-N 299.761 2.662 30 50 CFEA C=CCNC(=O)COc1ccc(CC)cc1Br 2838384 QGMOCHGUBUOZLR-UHFFFAOYSA-N 298.180 2.693 30 50 CFEA O/C(=N/C[C@H]1CCn2ccnc2C1)Nc1ccsc1 328618754 FARHMUXUVBZUPY-JTQLQIEISA-N 276.365 2.533 30 50 CFEA N#Cc1cccc(C(=O)NC[C@@H]2CCOC3(CCC3)C2)c1 333054649 HHKVVWFQDXOOHK-CQSZACIVSA-N 284.359 2.637 30 50 CFEA CO[C@@H](CNc1snc(C)c1C#N)C(C)(C)C 288575932 XBGCSNQPKQYWQB-JTQLQIEISA-N 253.371 2.796 30 50 CFEA CC(C)C1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 181349158 ZHXBRVDOHQZBHL-UHFFFAOYSA-N 259.353 2.831 30 50 CFEA N#CC1(c2ccccc2)CCN(CCCn2cccn2)CC1 244700905 JWBGEKLAAYGPEX-UHFFFAOYSA-N 294.402 2.831 30 50 CFEA CN(CC#N)Cc1nc2cc(Cl)ccc2s1 2325740318 FICUIRKUKDNHQC-UHFFFAOYSA-N 251.742 2.905 30 50 CFEA C=C[C@H]1CCN(C(=O)NCc2sc(C)nc2CC)C1 584890921 MFLJTYPJQRAZLF-NSHDSACASA-N 279.409 2.731 30 50 CFEA N#C[C@@H]1c2ccccc2C=CN1S(=O)(=O)c1ccccc1 399451 ZVRQOAPRTHETGA-MRXNPFEDSA-N 296.351 2.926 30 50 CFEA in-vitro C[C@@H]1CC[C@@H](C)N1C(=O)/C=C/c1cccc(C#N)c1 161904162 YGKFNLADQKJTLQ-RYYBZQDPSA-N 254.333 2.971 30 50 CFEA CC(C)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 170009948 ZFXKIBFCXNXZKP-UHFFFAOYSA-N 293.191 2.623 30 50 CFEA COc1nccc(-c2cccc(NC(C)=O)c2)c1C#N 67654681 MPVHPXOFXWDZQD-UHFFFAOYSA-N 267.288 2.587 30 50 CFEA COC1CCC(C/N=C(/O)[C@@H]2CCc3n[nH]cc3C2)CC1 328805667 KUNMVURFLBWXDZ-MBHSVXNSSA-N 291.395 2.676 30 50 CFEA C#CCN(C(=O)c1ccccc1)c1ccc(OC)cc1 71772929 XVEXOIDUAMYCOA-UHFFFAOYSA-N 265.312 2.975 30 50 CFEA C[C@](O)(C#CCN1CCCC[C@H]1c1cccnc1)C1CC1 245226013 DGDQAXYQNZLNJU-ROUUACIJSA-N 284.403 2.773 30 50 CFEA biogenic CC[C@H]1C[C@@H](CC(=O)N(CC#N)c2ccccn2)CCO1 585125276 MKUZLKVRWUFHHU-KBPBESRZSA-N 287.363 2.533 30 50 CFEA CC#CC(=O)N(CCc1ccccc1)Cc1cccnc1 764473247 VJEYYJUVUYYPLP-UHFFFAOYSA-N 278.355 2.676 30 50 CFEA N#C[C@@H]1CCCN(C(=O)NCCCc2ccccc2)C1 426465230 QLNBTNHXIWPXGH-HNNXBMFYSA-N 271.364 2.564 30 50 CFEA Cc1cc(CN=C2NC[C@H](c3ccccc3)N2)c(C)o1 2325864246 JWLNSNDTBOQUIS-OAHLLOKOSA-N 269.348 2.687 30 50 CFEA C=CCN(CC=C)S(=O)(=O)Cc1ccc(Cl)cc1 2875929 VLRJPMCJUDDXNY-UHFFFAOYSA-N 285.796 2.844 30 50 CFEA CCOC(=O)Oc1c(Cl)cc(C#N)cc1OC 6702944 ZVLSOKWUANTVKM-UHFFFAOYSA-N 255.657 2.756 30 50 CFEA CCOc1cc(/C=N\CC(OCC)OCC)ccc1OC 102311667 VSUYDBXITZKFCK-BOPFTXTBSA-N 295.379 2.912 30 50 CFEA CC(C)(C)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N 170003918 ODOBPRSTXUXPMZ-UHFFFAOYSA-N 290.216 2.778 30 50 CFEA C[C@H](c1cccnc1)N(C)C(=O)c1ccccc1C#N 216528293 OKTYRUVRPDYENN-GFCCVEGCSA-N 265.316 2.786 30 50 CFEA CCCOc1cccc(B2OC(C)(C)C(C)(C)O2)c1 211235708 GCWKKLLIVKKVDL-UHFFFAOYSA-N 262.158 2.775 30 50 CFEA CC1(c2ccccc2F)CN(C[C@H](C#N)CCC#N)C1 370516588 DECMFRYGSKJBKH-ZDUSSCGKSA-N 271.339 2.843 30 50 CFEA Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](OCC(C)C)C1 130079390 WWTBIZLWPLTSOK-OAHLLOKOSA-N 286.375 2.754 30 50 CFEA N#Cc1ccc(C(=O)N[C@H]2CCCc3cc(N)ccc32)cc1 184700832 QREAORDEEUKQGX-KRWDZBQOSA-N 291.354 2.948 30 50 CFEA C[C@H](NCc1cnc(Cl)c(C#N)c1)[C@H]1CCCOC1 408523964 OYTIEWMPGOJMHT-JQWIXIFHSA-N 279.771 2.511 30 50 CFEA Cc1coc(C)c1/C(O)=N/CC(=O)NC1CCCCC1 330463270 CIXNHEVKLZVIHP-UHFFFAOYSA-N 278.352 2.650 30 50 CFEA C=CC(=O)N(Cc1cccc(C)c1)Cc1cc(C#N)n(C)c1 1875389015 YNDSSHWDENPKNI-UHFFFAOYSA-N 293.370 2.920 30 50 CFEA Cc1ccn(Cc2ccc(F)cc2Cl)c(=O)c1C#N 137618091 ABUIGYZASWDZRZ-UHFFFAOYSA-N 276.698 2.869 30 50 CFEA COc1ccc(CNC=C2C(=O)CC(C)(C)CC2=O)cc1 100307422 BMXZMMCSQGMXLQ-UHFFFAOYSA-N 287.359 2.627 30 50 CFEA CN(C)/C=N/Nc1ncc(C(F)(F)F)cc1Cl 5197812 DZEVPLVIHMZNKB-PJQLUOCWSA-N 266.654 2.671 30 50 CFEA Cc1ccccc1COc1ccccc1C(=O)NCC#N 126801558 JZMAQUROVUZAIB-UHFFFAOYSA-N 280.327 2.827 30 50 CFEA CCn1nc(CCSC)nc1-c1ccc(C#N)cc1 96141090 PCFNIAVZNPKTLH-UHFFFAOYSA-N 272.377 2.742 30 50 CFEA CC(=O)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 260020610 AYBNVQXNNLRUME-UHFFFAOYSA-N 266.341 2.506 30 50 CFEA C=C[C@H]1CCN(C(=O)CC2CC(C)(C)NC(C)(C)C2)C1 952960912 IFNCEPJZTLXYFN-ZDUSSCGKSA-N 278.440 2.968 30 50 CFEA CC[C@@]1(/C=N/O)CCN(C(=O)OC(C)(C)C)C[C@@H]1F 1542053007 CVMQRCZJENWGDX-UXVYAQNPSA-N 274.336 2.822 30 50 CFEA C=CCN1C(=O)c2ccccc2[C@]1(O)c1ccc(C)cc1 209001 MPWRSLDCRFPVHB-GOSISDBHSA-N 279.339 2.830 30 50 CFEA C=CCOc1cccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 4869198 DGKQNRUUMLOBCX-STQMWFEESA-N 275.348 2.501 30 50 CFEA CCC(=O)Nc1cc(ON=C(C)C)cc([N+](=O)[O-])c1 374114 LVGDSGHAIWIGNO-UHFFFAOYSA-N 265.269 2.718 30 50 CFEA CC(C)(C/N=C(/O)N[C@H]1CCCCN=C1O)C(F)(F)F 330031912 FUYDFNNNECIFCA-QMMMGPOBSA-N 295.305 2.588 30 50 CFEA C/C(NOC(=O)/C=C/c1ccccc1)=C1\OC1(C)C 71779377 JBAOSEDJTCPEQQ-QDCWQMMGSA-N 259.305 2.788 30 50 CFEA C#CC(CC)(CC)NS(=O)(=O)c1ccc(C)cc1C 6725931 ZWCUZIISIQQAEH-UHFFFAOYSA-N 279.405 2.774 30 50 CFEA COc1ccc(/N=C(/NN)c2ccc3ccccc3n2)cc1 12730463 BKWDCJQMWAHEJH-UHFFFAOYSA-N 292.342 2.785 30 50 CFEA N#Cc1cc(C(=O)N2CC[C@H]2c2ccccc2F)c[nH]1 360435263 DULLPXYSBZPIJB-AWEZNQCLSA-N 269.279 2.613 30 50 CFEA N#Cc1ccccc1-n1cc(-c2ccc(Cl)nc2)nn1 2325818204 JIBALRSLGWQMSF-UHFFFAOYSA-N 281.706 2.854 30 50 CFEA CCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(F)cc1 2050043 BPGLWBQGPAHDCK-CQSZACIVSA-N 291.322 2.910 30 50 CFEA C[C@H](Oc1ccccc1Cl)C(=O)/C=C/N(C)C 1404168 PVYUPSAWIDEYPA-DDXVTDLHSA-N 253.729 2.752 30 50 CFEA C[C@](O)(CNc1ccc(C#N)cn1)c1cccc(Cl)c1 302176481 OLKGOLGQRZESEL-HNNXBMFYSA-N 287.750 2.926 30 50 CFEA O=C1c2ccccc2CC[C@]12O[C@H]2c1ccncc1 13283791 HRRSYOHGEGUQGA-HOTGVXAUSA-N 251.285 2.721 30 50 CFEA Cc1ccc(C(=O)O/N=C(\N)c2ccccc2)c(C)c1 4685135 TUCJQDCFXPBJCY-UHFFFAOYSA-N 268.316 2.781 30 50 CFEA Cc1nc([C@@H]2CCCCN2Cc2ccc(C#N)cc2F)n[nH]1 408473322 LXDPEYNTJIUTML-HNNXBMFYSA-N 299.353 2.851 30 50 CFEA N#Cc1c(NC(=O)CN2CCCC2)sc2c1CCCC2 3200291 GRQWGRRVAFXSQV-UHFFFAOYSA-N 289.404 2.533 30 50 CFEA C=CCNCc1cc(Br)c(OC)c(OC)c1 8469808 ABKAJDYZPHNCMV-UHFFFAOYSA-N 286.169 2.742 30 50 CFEA O=C(C[n+]1csc2ccccc21)OCc1ccccc1 25558239 FYXNBVNHSMFVER-UHFFFAOYSA-N 284.360 2.932 30 50 CFEA CN1CCCC[C@@H]1/C(O)=N/C[C@H]1CCO[C@@H]1C(C)(C)C 328614085 VGANXMRHTUCOQL-MCIONIFRSA-N 282.428 2.878 30 50 CFEA Cc1ccnc(NC[C@@H]2CCN(C[C@@H](C#N)CCC#N)C2)c1 222204763 YTGQHSYKEPFQBF-CVEARBPZSA-N 297.406 2.567 30 50 CFEA CC1(C)OB(c2ccc3cccnc3c2F)OC1(C)C 252483970 FLMWKPQSXUWXRC-UHFFFAOYSA-N 273.116 2.673 30 50 CFEA CC1(C)CCc2nnc(COc3ccc(C#N)cc3)n2C1 1616037891 GWYZDIPLNSCFLX-UHFFFAOYSA-N 282.347 2.701 30 50 CFEA C=CC[C@]1(CO)CCCN(C(=O)CCC(F)(F)F)C1 91536254 JRIDXXZKAZNONM-LBPRGKRZSA-N 279.302 2.506 30 50 CFEA N#Cc1ccc(-c2cnc3c(N4CCCC4)nccn23)cc1 2356147258 OLAQUPWSNMRBLW-UHFFFAOYSA-N 289.342 2.868 30 50 CFEA CS(=O)(=O)OCCCCCCCCCCCC(=O)O 4530932 ZLNDKJYAANONHJ-UHFFFAOYSA-N 294.413 2.948 30 50 CFEA Fc1ccccc1/C=N/n1c(S)nnc1-c1ccccn1 9044652 NZFFACAKDSLHEO-RQZCQDPDSA-N 299.334 2.650 30 50 CFEA Cn1cccc1CN[C@@H]1CCCN(c2ccccc2C#N)C1 119159694 SAPHIGDANLSRMV-MRXNPFEDSA-N 294.402 2.655 30 50 CFEA C/C(=N\Nc1nc2ccccc2n1C)c1ccccn1 38393225 JNNXERNBPXXNLK-WOJGMQOQSA-N 265.320 2.804 30 50 CFEA in-vitro COc1ccccc1CN[C@H](C)CC1(C#N)CCOCC1 598894893 GUFVEXUJNZQWPI-CQSZACIVSA-N 288.391 2.884 30 50 CFEA CC(C)c1nn(C)cc1C(O)=Nc1cccc2c1OCO2 329291495 ATPRARKHYXNNDL-UHFFFAOYSA-N 287.319 2.909 30 50 CFEA CO[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2C)CC1 374711202 RCHMTFWIEBGJTD-CQSZACIVSA-N 272.348 2.508 30 50 CFEA C#CCOc1c(Br)cc(C=O)cc1OCC 2774574 UATUHMXLYGGOOU-UHFFFAOYSA-N 283.121 2.672 30 50 CFEA C[C@@H](C#N)N1CCO[C@@H](c2cccc(Br)c2)C1 222274682 HWMPBCSRALMDCC-GXFFZTMASA-N 295.180 2.734 30 50 CFEA C[C@H]1C/C(=C/c2ccnn2C)C(=O)/C(=C/c2ccnn2C)C1 248534770 WHHIFRJLSBCQDD-VKZJCXAPSA-N 296.374 2.620 30 50 CFEA Cc1oc(C#N)cc1C(=O)N1CC[C@@H](O)c2ccccc2C1 373861743 AGMDSDFXIIOXTH-MRXNPFEDSA-N 296.326 2.539 30 50 CFEA CN(C)c1ccc(/C=C2/C(=NO)C3CCN2CC3)cc1 252462067 PMRUAVIUTNEDEG-AVVCBZMHSA-N 271.364 2.649 30 50 CFEA C=CCN1CCC[C@H]1C(=O)NCC1(CCC)CCC1 534647886 ZLSOVXDESAMXDS-AWEZNQCLSA-N 264.413 2.723 30 50 CFEA CCOc1c(Br)cc(/C=N/O)cc1OC 151855 REHUSNIPFFZFHW-WUXMJOGZSA-N 274.114 2.665 30 50 CFEA N#Cc1ccc(CN[C@@H](C(N)=O)c2ccccc2)cc1Cl 619746962 WQYVSYPKPSKYCZ-OAHLLOKOSA-N 299.761 2.528 30 50 CFEA Cn1cnnc1[C@H]1CCCN1c1ccc(C#N)c(Cl)c1 271032433 HNGQVSKCCUNETF-CYBMUJFWSA-N 287.754 2.682 30 50 CFEA CC#CC[C@H](CO)NCc1ccc(C)cc1Br 641767275 IDQZMRPSGHSKDW-CYBMUJFWSA-N 296.208 2.621 30 50 CFEA C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1 2473072 FBQVQNDTCIECFC-CABCVRRESA-N 284.359 2.510 30 50 CFEA CC(C)N(CC(=O)[C@H](C#N)c1ccccc1)C(C)C 4866153 KEYYXIFFPJOMAW-OAHLLOKOSA-N 258.365 2.982 30 50 CFEA C=C(C)COc1ccccc1C(=O)NCc1c(C)n[nH]c1C 67654957 JDECQLCGRPPHJD-UHFFFAOYSA-N 299.374 2.911 30 50 CFEA CC(C)(C)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 170003219 LTJUGMWKOFTSSP-UHFFFAOYSA-N 275.201 2.866 30 50 CFEA CC[C@@H]1CN(Cc2cc(C#N)n(C)c2C)CCN1C(C)C 72166659 JCLPQCQBEADNDN-MRXNPFEDSA-N 288.439 2.510 30 50 CFEA N#C[C@@H]1CCCN(C(=O)Nc2cccnc2Cl)C1 299769263 LEMMUIXRMIXVAM-VIFPVBQESA-N 264.716 2.502 30 50 CFEA CC(C)c1ccc(C#N)c(N2CCO[C@H](C3CC3)C2)n1 826786556 NSSRJKGZYGXBGY-HNNXBMFYSA-N 271.364 2.692 30 50 CFEA CCOC(=O)C1CCN([C@@H](C#N)c2ccccc2)CC1 43220546 JHCYDAZKJXDNQS-HNNXBMFYSA-N 272.348 2.526 30 50 CFEA in-vitro COc1c(Cl)cc(C(=O)N2CC(C#N)C2)cc1Cl 1857704866 ISPLOUXQEXVDMZ-UHFFFAOYSA-N 285.130 2.598 30 50 CFEA Cc1ccc(N2CCN(/N=C/c3ccccc3O)CC2)cc1 136729 XAXSRAZQEBSBJP-XMHGGMMESA-N 295.386 2.857 30 50 CFEA C#CCCCCC(=O)O[C@H](C)CC#Cc1cccnc1 888099578 REMVXXVBDOFJSX-OAHLLOKOSA-N 269.344 2.949 30 50 CFEA N#Cc1cc(C(=O)Nc2cccc3c2CCO3)ccc1F 225463478 CMANDPHJBPOHML-UHFFFAOYSA-N 282.274 2.885 30 50 CFEA O=C1CC[C@@H](/C(O)=N/C2(C(F)F)CC2)n2cccc21 328808119 MFRFCEFHBQRTNF-VIFPVBQESA-N 268.263 2.760 30 50 CFEA OC(=Nc1nc2cccnc2[nH]1)C1[C@@H]2CCCC[C@@H]12 330219303 KAYJEPXZJCACBR-RKDXNWHRSA-N 256.309 2.982 30 50 CFEA CC(C)(C)OC(=O)N[C@@H](CC=O)c1ccc(F)cc1 149634164 SKKQVMWQYKIFSU-LBPRGKRZSA-N 267.300 2.981 30 50 CFEA CC1=CC(C)(C)N2C(=O)/C(=N/O)c3cc(C)cc1c32 1554503169 LXUPXVNSMLOLLR-FOWTUZBSSA-N 256.305 2.715 30 50 CFEA O=C(O[N@@]1CC1(C(F)(F)F)C(F)(F)F)c1ccccc1 1857666659 HZMQLAVMNLYWNJ-SFHVURJKSA-N 299.170 2.937 30 50 CFEA C=C(C)C[C@@H](C)C(=O)NCc1nnc2ccc(Cl)cn12 585127801 JOXAILLWCDCTIQ-SNVBAGLBSA-N 292.770 2.601 30 50 CFEA CC#CC(=O)N[C@@H](c1ccc(F)c(C#N)c1)C(C)C 1875379813 XOWODYJQOXVBNY-OAHLLOKOSA-N 258.296 2.534 30 50 CFEA Cc1n[nH]cc1-c1cc(C#N)cc(N2CCCC2)c1 2325756960 AZCUOPNZLALVSO-UHFFFAOYSA-N 252.321 2.857 30 50 CFEA N#Cc1cc(C(=O)NCCCC2CC2)n2c1CCCC2 2325766256 LAUCLPKMILUXLY-UHFFFAOYSA-N 271.364 2.616 30 50 CFEA COc1cccc(/C=N/Nc2cc(Cl)nc(C)n2)c1O 4838705 NHEZCOHEPWSEMW-VIZOYTHASA-N 292.726 2.599 30 50 CFEA CC1CCN(CC(=O)[C@@H](C#N)c2ccccc2)CC1 4856295 MWWQDTLCATVFMN-HNNXBMFYSA-N 256.349 2.595 30 50 CFEA C[C@@]12C3=CC(=O)C=C1C=C(O)C1=CC(=O)C=C(C=C3)[C@@]12C 100818781 IKCBSIYEWLIYOE-MSOLQXFVSA-N 278.307 2.895 30 50 CFEA N#Cc1ccc(SCc2cnc3ccccn23)nc1 346629066 PRIGGURGVCEDOY-UHFFFAOYSA-N 266.329 2.893 30 50 CFEA Cc1ccc(-c2[nH]ncc2B2OC(C)(C)C(C)(C)O2)cc1 170004759 QKNDLIZAUUXSTM-UHFFFAOYSA-N 284.168 2.684 30 50 CFEA CNC(=O)c1cccc(-c2ccc(C(C)(C)C#N)cc2)n1 97594861 ZUKOOXYKLALIMP-UHFFFAOYSA-N 279.343 2.909 30 50 CFEA Cc1ccc(-c2nnc(S)n2N=Cc2cccn2C)cc1 243932480 BVSXCOIWZOLMEW-UHFFFAOYSA-N 297.387 2.763 30 50 CFEA C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(OC2CCCC2)nc1 408519362 KDPUSIRJQNCKSX-MEDUHNTESA-N 285.347 2.891 30 50 CFEA N#Cc1ccc(CN2CC(C(=O)c3ccc(F)cc3)C2)o1 1615586775 YYIBUMXRIMJWEC-UHFFFAOYSA-N 284.290 2.605 30 50 CFEA Cc1[nH]c(/N=C(\N)Nc2ccc(C(C)C)cc2)nc(=O)c1C 12653134 DTZJTDRWHINJAT-UHFFFAOYSA-N 299.378 2.568 30 50 CFEA c1cc(-c2ncc3n2CCCC3)ccc1OC[C@@H]1CO1 1875390095 WUVVSHWORGUKNR-OAHLLOKOSA-N 270.332 2.664 30 50 CFEA Fc1cccc(F)c1[C@H]1CN/C(=N/Cc2ccccc2)N1 1775993687 HPWGMWXTNDOPQD-CQSZACIVSA-N 287.313 2.755 30 50 CFEA COc1ccc(/C=C/C(=O)C2(O)CCCCC2)cc1 506215 JXRNWLPDKFLMDV-JXMROGBWSA-N 260.333 2.973 30 50 CFEA O=[N+]([O-])c1cccc(N/N=C/c2ccccc2[N+](=O)[O-])c1 4964986 HUVPCAOFKTUPTB-NTEUORMPSA-N 286.247 2.949 30 50 CFEA C#CCOc1ccc(C(=O)N2CCC(C)CC2)cc1 8570451 BSEHKRSKNVUKTK-UHFFFAOYSA-N 257.333 2.571 30 50 CFEA CCn1c(NC(=O)c2ccccn2)nc2cc(C#N)ccc21 131770331 HPLAHMDEMVOMJF-UHFFFAOYSA-N 291.314 2.575 30 50 CFEA Cc1cc(/C(O)=N/[C@@H](Cc2ccccc2)C(=O)O)c(C)o1 82138161 QUAPVNIKMOMEAG-AWEZNQCLSA-N 287.315 2.897 30 50 CFEA biogenic,in-vitro C[C@@H](c1ccc(-c2cc(C#N)n(C)c2)cc1)N1CCOCC1 426387169 XFOOGBJTQHTGFU-AWEZNQCLSA-N 295.386 2.957 30 50 CFEA Cc1cc(Br)c2oc(C(=O)NCC#N)cc2c1 183360491 FKXWSXJNPCYJIT-UHFFFAOYSA-N 293.120 2.757 30 50 CFEA N#C[C@@H]1CSCCN1C(=O)CC1CCC(F)(F)CC1 599734585 AFEUGTXOJKEQOH-LLVKDONJSA-N 288.363 2.670 30 50 CFEA N#Cc1cc2n(n1)CCCN(Cc1cccc(Cl)c1)C2 670447974 YQJRFKQYTQUJAN-UHFFFAOYSA-N 286.766 2.814 30 50 CFEA CC(C)(C)C(=O)Nc1cc(Br)cnc1C#N 66054258 BKMYOXVZGMRZGW-UHFFFAOYSA-N 282.141 2.700 30 50 CFEA in-vitro C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(C#N)cc2)C1 217673236 UNSSSRNHMGEDBH-CHWSQXEVSA-N 271.364 2.617 30 50 CFEA Cc1ccc(/C(N)=N/OC(=O)CCc2ccccc2)cc1 13130270 CINSPYPEANYMCM-UHFFFAOYSA-N 282.343 2.791 30 50 CFEA CC1=C/C(=N\OC(=O)c2cccc(C)c2)C(C)=CC1=O 1802596 XKEYOIUPFVJKQJ-SAPNQHFASA-N 269.300 2.983 30 50 CFEA Cc1ccccc1CNC(=O)COc1ccc(C#N)cc1F 134308283 IDTZQUNZHOQDEG-UHFFFAOYSA-N 298.317 2.701 30 50 CFEA CC#CC(=O)NCCc1ccc(OC)c2ccccc12 1875363269 RAUUFBNBOUBJHV-UHFFFAOYSA-N 267.328 2.530 30 50 CFEA CC(C)(C)C[C@@H](NC(=O)[C@@H]1CO1)c1ccc(F)cc1 1875372682 KTBAGYJQJMGLQC-OLZOCXBDSA-N 265.328 2.818 30 50 CFEA C=CCC1(C(=O)O)CN(Cc2cccc(O)c2Cl)C1 722823649 GJDAVOVQFGTIAB-UHFFFAOYSA-N 281.739 2.508 30 50 CFEA Cn1cnc2nc(-c3ccc(C(C)(C)C#N)cc3)ncc21 2100544715 GPYIYQGKYGTHJP-UHFFFAOYSA-N 277.331 2.831 30 50 CFEA Cc1cc(C(F)(F)F)c(C#N)c(SCC#N)n1 2345301 PHXRKQRYSMIEAY-UHFFFAOYSA-N 257.240 2.896 30 50 CFEA C=CCSc1nc(O)c2c(C)c(C(=O)O)sc2n1 9164621 PTYCLKVHEIGEBZ-UHFFFAOYSA-N 282.346 2.682 30 50 CFEA N#Cc1ccccc1Cn1cncc(-c2ccccc2)c1=O 252498883 ROVAMDVWPRQNPC-UHFFFAOYSA-N 287.322 2.830 30 50 CFEA N#Cc1ccncc1NC[C@@H]1OCCc2ccccc21 378362909 ZJYLYLNETJATCM-INIZCTEOSA-N 265.316 2.679 30 50 CFEA COc1ccc(/C=N/c2ccc(CCO)cc2)cc1 44125260 GOAZQHHIGVWNDU-SFQUDFHCSA-N 255.317 2.981 30 50 CFEA N#CC1(c2ccc(Br)cc2)CCNCC1 71597535 NWSFSVGHKAZFLS-UHFFFAOYSA-N 265.154 2.594 30 50 CFEA in-vitro C=C(C)C[C@H](C)C(=O)Nc1cc(OC)cnc1F 585128882 PXMKKNISRHPMDF-VIFPVBQESA-N 252.289 2.770 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1[C@@H](O)CC 585127418 ZTUGJBCLURHORW-MJBXVCDLSA-N 253.386 2.741 30 50 CFEA C[C@@H]1CCC[C@]1(C#N)NC(=O)c1cc(F)c(F)c(O)c1F 195561580 GENYUEBLUPGBFR-NXSYQRQQSA-N 298.264 2.622 30 50 CFEA N#Cc1ccccc1CN(CCO)Cc1ccc(F)cc1 1529167648 PAGCHMXKEPFTDV-UHFFFAOYSA-N 284.334 2.692 30 50 CFEA N#CCn1cnc2scc(-c3ccccc3)c2c1=O 144783 RLXUSTMBRFRGLK-UHFFFAOYSA-N 267.313 2.649 30 50 CFEA CC1(C)OB(c2ccc3ncsc3c2)OC1(C)C 169794568 VLJNKSRMMHATGX-UHFFFAOYSA-N 261.155 2.596 30 50 CFEA CNC(=O)[C@@H]1CCCC[C@@H]1N[C@H](C)c1cccc(C#N)c1 225549245 WWWCGELKLFDWBM-WQVCFCJDSA-N 285.391 2.514 30 50 CFEA N#Cc1cccc2cc(OC[C@H]3C[N@]3CC3CC3)cnc12 1875379262 PBUINORBNMUYJO-QRWLVFNGSA-N 279.343 2.579 30 50 CFEA C[C@@]1(CNc2cc[nH]c(=N)c2C#N)C[C@H]2CC[C@H]1C2 2325862262 OARPRTGVGIFCAR-PGUXBMHVSA-N 256.353 2.604 30 50 CFEA Cc1cc(N(C)C)c(C#N)c(NCc2ccccc2)n1 403651 NKIDELMZCLMHBH-UHFFFAOYSA-N 266.348 2.940 30 50 CFEA C=CCOc1cccc(C(=O)Nc2nnc(C)s2)c1 4869323 LAJIMBSRWKDVAN-UHFFFAOYSA-N 275.333 2.664 30 50 CFEA Cc1nc(CC2CC2)sc1/C(O)=N/[C@@H]1C[C@@H](O)C1(C)C 330032139 UNRVZOAOPZCVEM-GHMZBOCLSA-N 294.420 2.868 30 50 CFEA C=C[C@@H]1OCC[C@H]1c1nc(-c2coc(CCC)n2)no1 351123779 NDEOWEXQSBAFQD-KOLCDFICSA-N 275.308 2.736 30 50 CFEA CCOC(=O)c1c(C#N)cnn1-c1ccc(Cl)cc1 1392203 HHSKCPVTQHQCGF-UHFFFAOYSA-N 275.695 2.574 30 50 CFEA C/N=C(/O)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 328603577 GRFJOSZCUFEJGY-GWCFXTLKSA-N 251.713 2.967 30 50 CFEA CC(C)(C)OC(=O)NC(C)(C)c1noc(C(C)(C)C#N)n1 283955176 OEPJAHAQXZIKLX-UHFFFAOYSA-N 294.355 2.631 30 50 CFEA Cc1nc(C)c(C/N=C(/O)C[C@@H]2CCOC2)s1 329596379 INRGYMUOIUNURH-JTQLQIEISA-N 254.355 2.643 30 50 CFEA CC[C@@H](NC(=O)CC#N)c1ccc2c(c1)CC(C)(C)O2 225398401 RBTNCLBSIRTMMC-CYBMUJFWSA-N 272.348 2.881 30 50 CFEA N#CC1CN(C(=O)[C@@H](c2ccccc2)C2CCCC2)C1 1857696008 IBAGVLDMZVAKQJ-INIZCTEOSA-N 268.360 2.942 30 50 CFEA CSc1nsc(N=C(O)N2CC[C@@H]3CCC[C@@H]32)n1 330247285 LPQZHEIYBQGGRM-YUMQZZPRSA-N 284.410 2.680 30 50 CFEA N#Cc1cnc(C2CC2)nc1N1CCC[C@@H]1[C@@H]1CCCOC1 1875313079 GWOLGADHTNRWCQ-UKRRQHHQSA-N 298.390 2.621 30 50 CFEA CCOc1cc(C#N)ccc1OC[C@H]1C[N@]1C1CCC1 1875381722 FNRUJJRGUGKDGF-RDTXWAMCSA-N 272.348 2.572 30 50 CFEA Cc1cc(C#N)nc(N[C@H](C)c2cccc([N+](=O)[O-])c2)n1 341724808 CBRVPFBPCJLKJI-SNVBAGLBSA-N 283.291 2.738 30 50 CFEA COC(=O)C[C@H](C#N)c1ccc(Br)cc1 57555954 JYGMYDOUINVBRU-SECBINFHSA-N 268.110 2.619 30 50 CFEA N#C[C@H]1CCCN(C(=O)Nc2cc(F)cc(F)c2)C1 96151740 ARSISWLBTICJOZ-SECBINFHSA-N 265.263 2.732 30 50 CFEA Cc1scnc1[C@H](C)NC(=O)c1ccc(C#N)cc1F 1857694613 GDBJWJOVBZWUIJ-QMMMGPOBSA-N 289.335 2.953 30 50 CFEA C=C(C)CNC(=O)NCc1cccc(NC(C)C)c1 119368576 FNVLZIVUNXGOBI-UHFFFAOYSA-N 261.369 2.882 30 50 CFEA N#Cc1ccc(N2CC[C@](O)(C3CC3)C2)cc1Cl 335764148 HGHJIKRNBPKBIS-CQSZACIVSA-N 262.740 2.563 30 50 CFEA C[C@@H]1CCCCN1C[C@H]1CCCN(CCCC#N)C1 247115535 YLWDVPGPBVQFKC-CVEARBPZSA-N 263.429 2.877 30 50 CFEA Cc1ccnc(N2CC[C@H](c3ccncc3)C2)c1C#N 599100478 IXVGQNYXFNNBQW-AWEZNQCLSA-N 264.332 2.651 30 50 CFEA C=CCc1ccccc1OC[C@@H](O)CNCc1ccco1 187576 IAFKVNDRMCIREP-HNNXBMFYSA-N 287.359 2.538 30 50 CFEA CC#CCCNC(=O)Cc1ccc2ccccc2c1 166246365 GTYPTUCRRYTZPC-UHFFFAOYSA-N 251.329 2.912 30 50 CFEA CC1(C)OB(CB2OC(C)(C)C(C)(C)O2)OC1(C)C 195874514 MQYZGGWWHUGYDR-UHFFFAOYSA-N 267.971 2.710 30 50 CFEA in-vitro CCN1CCN(/C(S)=N/c2cccc(Cl)c2)CC1 13522179 JMAMZIYMGUDBDZ-UHFFFAOYSA-N 283.828 2.895 30 50 CFEA C[C@]1(C2CC2)Cc2nnc(-c3ccc(C#N)cc3)n2C1 1857682539 MXKPGCCUZFZNSD-INIZCTEOSA-N 264.332 2.789 30 50 CFEA C=CCN(Cc1ccccc1C)C(=O)[C@H]1CCOC1 55042149 PUBIBIIOONLIIO-HNNXBMFYSA-N 259.349 2.546 30 50 CFEA CSc1cc(-c2ccccc2)n(C)c(=O)c1C#N 1388920 ZGRPVZJTZYFHHY-UHFFFAOYSA-N 256.330 2.646 30 50 CFEA Cc1noc(C)c1C(C)(C)C(O)=Nc1ccc2nncn2c1 330285633 ZELZWSBUXZVHJF-UHFFFAOYSA-N 299.334 2.900 30 50 CFEA CN(CC[C@H](O)c1ccccc1)Cc1cc(C#N)ccn1 299760322 PWRUHCSILMWACS-KRWDZBQOSA-N 281.359 2.509 30 50 CFEA CC(C)Oc1cc(CNc2ccc(C#N)nc2)ccn1 195575593 HKQZMHBMZYJERH-UHFFFAOYSA-N 268.320 2.748 30 50 CFEA N#Cc1cc(C(F)(F)F)cc(Br)c1N 146658427 OYUGWGDNFYZWSZ-UHFFFAOYSA-N 265.032 2.922 30 50 CFEA Cn1cc(CN[C@@H]2CCSC2)c(-c2ccc(C#N)cc2)n1 252482436 DFHUTNCCNQMBNA-OAHLLOKOSA-N 298.415 2.554 30 50 CFEA CC(=O)C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccccc1 283304 VAXODRRSKWXFFS-OAHLLOKOSA-N 294.310 2.571 30 50 CFEA O=C(Nc1cccc([N+](=O)[O-])c1)ON1CCCCC1 2156094 FPKNSIIDHIULRJ-UHFFFAOYSA-N 265.269 2.544 30 50 CFEA COc1cccc(-c2nc(C)c(C(=O)O)cc2C#N)c1OC 215112259 LOPDLMZLZRYIAZ-UHFFFAOYSA-N 298.298 2.644 30 50 CFEA C=CC[C@]1(CO)CCCN(Cc2cc(OC)ccc2F)C1 91877145 IHQHFBMPDKIZKG-KRWDZBQOSA-N 293.382 2.985 30 50 CFEA CO/N=C1\C[C@@H]2[C@@H]3[C@H]1[C@@H]1C=C[C@@H]4[C@H]5/C(=N/OC)C[C@H]2[C@@H]5[C@H]3[C@H]41 257346504 NEQASLFCPZMGNJ-XPQZOBLWSA-N 298.386 2.571 30 50 CFEA Cc1nc(C#N)c(NC[C@H](C)N2C[C@H](C)C[C@@H](C)C2)o1 826802941 RIQXBPIJTDYXDB-UTUOFQBUSA-N 276.384 2.633 30 50 CFEA CC#CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 277476542 PZJQWTPTAGFJOL-UHFFFAOYSA-N 270.376 2.659 30 50 CFEA CCc1nc(C#N)cc(N2Cc3ccccc3O[C@@H](C)C2)n1 596242706 VPECTOLKEMPKEB-LBPRGKRZSA-N 294.358 2.698 30 50 CFEA CCOC(=O)/C(=N/Nc1ccc(Cl)cc1C)C(C)=O 5592018 MQVMNWCCNUFTRM-FOWTUZBSSA-N 282.727 2.568 30 50 CFEA CC[C@H](C#N)C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 593735109 RFOAXPFRQLODJI-NQBHXWOUSA-N 258.321 2.565 30 50 CFEA CC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 303993 NGXOYMHBQRAQIK-UHFFFAOYSA-N 279.299 2.769 30 50 CFEA C=CCCS(=O)(=O)Nc1cccc(C)c1C(C)=O 129289317 CJELMOUDIQNCCF-UHFFFAOYSA-N 267.350 2.515 30 50 CFEA CC(C)[C@@H]1C=CCN1C(=O)Nc1cccc(C#N)c1 95517244 HKINVSBLBXVSIZ-AWEZNQCLSA-N 255.321 2.987 30 50 CFEA CC1(C)[C@H]2CC=C(CN3CCn4nc(C#N)cc4C3)[C@@H]1C2 670451088 ABTDXXWRSIZWLE-BBRMVZONSA-N 282.391 2.563 30 50 CFEA CC1(C)OB(c2cccc(C#N)c2Cl)OC1(C)C 306294479 XYFXKWAXQFIFKJ-UHFFFAOYSA-N 263.533 2.511 30 50 CFEA CCCCCCCC(=O)N[C@H]1CCO[C@]2(CCOC2)C1 170591488 BUYCPSKTGSFHQJ-GOEBONIOSA-N 283.412 2.801 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1cc2n(n1)CCCC2 585126761 HTZCAGLDHAOWBL-CHWSQXEVSA-N 275.396 2.999 30 50 CFEA C=CCOC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4775432 QMHIWYIOHJONLV-UHFFFAOYSA-N 256.645 2.983 30 50 CFEA Cc1ccc(/C=N\N2CCN(c3ccccc3)CC2)o1 12462489 CWSPSOQGJBZDTP-LGMDPLHJSA-N 269.348 2.744 30 50 CFEA C=CCn1c(S)nnc1COc1cc(C)cc(C)c1 2526640 CFZKYSQSJFABLU-UHFFFAOYSA-N 275.377 2.949 30 50 CFEA in-vitro CC(C)(C)OC(=O)NC[C@@]1(C=O)C[C@@H]2CCC[C@@H]2C1 1857780744 KLYCVKWBLLJRCH-JYAVWHMHSA-N 267.369 2.907 30 50 CFEA N#C[C@@H]1C[C@H]1CN1CCC(OCc2ccccc2F)CC1 888096250 OXYZTIGAJYDQCX-GJZGRUSLSA-N 288.366 2.966 30 50 CFEA C=CCOc1ccccc1CN(CC)CC(=O)OCC 55384493 BIVYAHFOTVAHPD-UHFFFAOYSA-N 277.364 2.636 30 50 CFEA C=CCN(Cc1ccc(SC)cc1)C(=O)[C@H]1CCOC1 55134174 BLIPBUIQXMCINT-AWEZNQCLSA-N 291.416 2.960 30 50 CFEA CN(C)/C=N/C(=O)NOCc1c(Cl)cccc1Cl 3029786 IUWOGGMELBZFAU-VGOFMYFVSA-N 290.150 2.725 30 50 CFEA CSc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 220453655 LZEUNWHRPJFBPN-UHFFFAOYSA-N 268.162 2.847 30 50 CFEA N#Cc1ccccc1Cn1ccnc1[C@H](O)c1ccccc1 132749907 JVTQSHYGNDYXRF-QGZVFWFLSA-N 289.338 2.885 30 50 CFEA N#CC1(c2ccccc2)CCN(C[C@@H]2CCOC2)CC1 244691962 JLXPLCWGUKODMH-HNNXBMFYSA-N 270.376 2.580 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N1C[C@@H](CO)Cc2cccc(F)c21 585126588 CIKJZCKKEDHAIK-OLZOCXBDSA-N 291.366 2.926 30 50 CFEA COc1ccc(/C=C2\NC(=O)c3ccccc3C2=O)cc1 16662520 CQPSRGUJHMGRSQ-GDNBJRDFSA-N 279.295 2.662 30 50 CFEA Oc1ccccc1/C=N/NC(=S)NC1CCCCC1 3525495 QEQOERHFAIIFBC-XNTDXEJSSA-N 277.393 2.523 30 50 CFEA in-vivo N#Cc1cc(OC[C@H]2C[N@@]2C2CCC2)ccc1Cl 1875379446 QLLUJAMRYPMZCL-PXAZEXFGSA-N 262.740 2.827 30 50 CFEA Cc1c(C#N)c2ccccc2n1CC(=O)NC(C)(C)C 1122806 WTGDTPHDRSZVFP-UHFFFAOYSA-N 269.348 2.736 30 50 CFEA Cc1ccc(NC(=O)O/N=C\c2ccncc2)cc1 6681940 YDEJWANCQKNBMV-YBEGLDIGSA-N 255.277 2.973 30 50 CFEA CC1(C)OB(c2ccc(C(=O)C3CC3)c(F)c2)OC1(C)C 170007339 WIWBLCICGQXMJK-UHFFFAOYSA-N 290.143 2.718 30 50 CFEA O=C[C@@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]6[C@@H]7[C@H]4[C@@H]4[C@H]8C[C@H]([C@H]43)[C@@H]1[C@@H]1C[C@H]([C@@H]87)[C@H]6[C@@H]1[C@H]52 257357819 QERQQRCTVDBZKG-MRSQTVTDSA-N 290.406 2.563 30 50 CFEA C[C@@]1(C#N)CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1 584894110 AQWOSKLLNIVAEF-KRWDZBQOSA-N 294.358 2.843 30 50 CFEA C#CCCCC(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)[C@H]1C 408521835 OVEWONPUIAMALO-ZIAGYGMSSA-N 293.407 2.759 30 50 CFEA C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H](C)CC#N 585105567 DUMAHOBKUGONLZ-CVEARBPZSA-N 299.418 2.659 30 50 CFEA CC(C)(C)c1nccc(NCc2cncc(C#N)c2)n1 952993536 OMCMMFDHNQZFDV-UHFFFAOYSA-N 267.336 2.653 30 50 CFEA N#Cc1ccc(N2CCC([C@H]3CCOC3)CC2)c(F)c1 374640713 DKQFSKYHXXWOPW-AWEZNQCLSA-N 274.339 2.950 30 50 CFEA C=C(CN1CCC(Oc2ccccc2Cl)CC1)C(=O)O 2325851595 DHHDXXSAMMQMCM-UHFFFAOYSA-N 295.766 2.824 30 50 CFEA CNc1oc(COc2ccc(Cl)cc2)nc1C#N 618784 BZQWAIWYPRRFRU-UHFFFAOYSA-N 263.684 2.820 30 50 CFEA C=C(C)OC(=O)CCOC(=O)Nc1ccccc1OC 2166318 LTTPDXGPMGZZMI-UHFFFAOYSA-N 279.292 2.711 30 50 CFEA CC1=C(SCCC(=O)O)C(=O)c2ccccc2C1=O 2562310 YQPMAEULEMJCMG-UHFFFAOYSA-N 276.313 2.548 30 50 CFEA CC1(C#N)CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1 215568574 OQULURGRLXSIGX-UHFFFAOYSA-N 260.385 2.833 30 50 CFEA C[C@H]1c2ccc(F)cc2CCN1c1cnc(C#N)cn1 129988025 HLLQVJPWYVWBKJ-JTQLQIEISA-N 268.295 2.611 30 50 CFEA C=CCc1c(C)nc(N)nc1N(C)Cc1cc(C2CC2)on1 95353435 MXEBCTZVBJKIQD-UHFFFAOYSA-N 299.378 2.598 30 50 CFEA CC1(C)OB(c2cc(Cl)cnc2Cl)OC1(C)C 169745915 LWZQWBPCOIYKQG-UHFFFAOYSA-N 273.956 2.688 30 50 CFEA in-vitro CCCC(CCC)=NNS(=O)(=O)c1ccccc1 5093783 DBTAEOFDKCJZSG-UHFFFAOYSA-N 268.382 2.921 30 50 CFEA C/C(=N\Nc1nccnc1Cl)c1ccc([N+](=O)[O-])cc1 4595744 DHDLQDCAFBQSMM-LZYBPNLTSA-N 291.698 2.874 30 50 CFEA N#Cc1ccc(=N[C@@H](c2ccccc2)C2CC2)[nH]c1N 583391138 LKXCNHVRSALOON-HNNXBMFYSA-N 264.332 2.521 30 50 CFEA CCOc1ccc(-n2cc(-c3ccc(C#N)nc3)nn2)cc1 2325818291 MFGZAHWFEYIBBO-UHFFFAOYSA-N 291.314 2.600 30 50 CFEA C[C@H](C(=O)N[C@H](C#N)[C@H]1CCOC1)c1ccc(Cl)s1 245339224 RICBHUAOQKXYBF-LPEHRKFASA-N 298.795 2.550 30 50 CFEA Cc1cnn(CC/C(O)=N/C[C@H]2CCO[C@@H]2C(C)C)c1 328613165 QYJKSJSMAKRFNF-UKRRQHHQSA-N 279.384 2.599 30 50 CFEA C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)[C@@H]2CCCC[C@@H]12 273103193 UZCDJXBKFGBKRT-SCDSUCTJSA-N 257.337 2.537 30 50 CFEA C[C@H](C#N)N(C(=O)c1cc(F)c(F)c(F)c1F)C1CC1 585113627 AHIBNOSBADTJCL-ZCFIWIBFSA-N 286.228 2.760 30 50 CFEA CCCC1CCC(C(=O)O/N=C(\N)c2ccccn2)CC1 6244097 HLDQZLUMYOWATC-UHFFFAOYSA-N 289.379 2.852 30 50 CFEA N#Cc1ccccc1OCc1ccc(C(=O)O)cc1 4820355 DQPKEZXWFVJUKN-UHFFFAOYSA-N 253.257 2.835 30 50 CFEA C[C@@H]1CN(c2ccncc2C#N)Cc2ccccc2O1 366261841 MUKMNSPFCHVDIU-GFCCVEGCSA-N 265.316 2.741 30 50 CFEA N#Cc1ccnc(N2CCC[C@@H](c3ccccc3)C2)n1 450539721 LEXJHWMFAASNOB-CQSZACIVSA-N 264.332 2.732 30 50 CFEA COc1cc(Br)c2c(c1)C=C(C(C)=O)CO2 675063925 UGWGBGAUCVLSCD-UHFFFAOYSA-N 283.121 2.823 30 50 CFEA CC1(C)C[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CCO1 408522601 KEPWTLAYJZMFQB-SNVBAGLBSA-N 294.301 2.524 30 50 CFEA Cc1cc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)ncc1C#N 598304436 FOZLDKXKBQFWJH-HZPDHXFCSA-N 291.354 2.938 30 50 CFEA C=CC[C@H](C(=O)N[C@H]1CCn2nccc2C1)c1ccccc1 1615606448 YLWYNBUGMHFPAD-RDJZCZTQSA-N 295.386 2.674 30 50 CFEA N#Cc1cccnc1Sc1nc2ccccc2[nH]1 19846598 SLXSKXDCOLPEPL-UHFFFAOYSA-N 252.302 2.981 30 50 CFEA N#Cc1c(NCC2(CC(F)F)CCC2)cc[nH]c1=N 2325775610 PPYCXEAJYNKBPN-UHFFFAOYSA-N 266.295 2.603 30 50 CFEA O=C(C[n+]1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 1667274 XZKUZNPHGJGMND-UHFFFAOYSA-N 293.302 2.918 30 50 CFEA C=CCOc1ccccc1OCCCCN1CCOCC1 20653165 BOBUHWYHLNQOPH-UHFFFAOYSA-N 291.391 2.743 30 50 CFEA N/C(COc1ccc2ccccc2c1Br)=N\O 2559636 IILFGCHWLITFRT-UHFFFAOYSA-N 295.136 2.728 30 50 CFEA N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)[nH]1 151724701 RGDLECFYKSJBIO-INMHGKMJSA-N 291.354 2.592 30 50 CFEA COc1cccc(OCCc2cc(C#N)ccn2)c1 91724637 CUEAIEPFIZLAMR-UHFFFAOYSA-N 254.289 2.583 30 50 CFEA C=CCc1cc(-c2nc(-c3cccnn3)no2)ccc1OC 91746453 ORRXNTSGAMAXJE-UHFFFAOYSA-N 294.314 2.931 30 50 CFEA COc1ccc(O)c(C=Nc2ccc(C(=O)O)cc2)c1 254579293 QBUCOIMTCULYJT-UHFFFAOYSA-N 271.272 2.850 30 50 CFEA CCOC(=O)c1cc(C#N)c(Br)cc1F 263622924 CDQAUHNXPAQONS-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA CC1(C)OB(c2ccc(C3CC3)c(C#N)c2)OC1(C)C 202369600 ZNBNBIZVDMQDBB-UHFFFAOYSA-N 269.153 2.735 30 50 CFEA C[C@@H](NC(=O)[C@H]1CO1)c1ccc(-c2ccccc2)cc1 1875372710 LDKYNKPKNXGPCD-MLGOLLRUSA-N 267.328 2.930 30 50 CFEA C=C(C)C(=O)OCC(F)(F)[C@H](F)C(F)(F)F 2584304 DFVPUWGVOPDJTC-LURJTMIESA-N 250.138 2.641 30 50 CFEA CC(C)(C)OC(=O)N1CCCC[C@H]1C1(C=O)CC1 1535976108 HYWLOWDMYGHYJE-NSHDSACASA-N 253.342 2.755 30 50 CFEA CS(=O)(=O)OCCCCCCOCc1ccccc1 135864461 IZXSODCTKRBSNH-UHFFFAOYSA-N 286.393 2.740 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1[C@@H](C)c1cccs1 14974359 WVCFSNJWSIGKSH-QWHCGFSZSA-N 278.421 2.966 30 50 CFEA C=CCOc1cccc(/C=C2\SC(=S)NC2=O)c1 12343918 RLHPIBCEINBSOF-FLIBITNWSA-N 277.370 2.740 30 50 CFEA CC(=O)Nc1cccc(-c2cc(N)c(F)cc2C#N)c1 1875339669 SUQHRUFEKVGBBY-UHFFFAOYSA-N 269.279 2.905 30 50 CFEA CN(C)c1oc(/C(=C\O)c2ccccc2)nc1C#N 2050024763 KHHSWRJRYSGWPX-LUAWRHEFSA-N 255.277 2.559 30 50 CFEA Cc1[nH]nc(O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N 2239879 VHBBZGLIENNPFI-CYBMUJFWSA-N 286.722 2.872 30 50 CFEA COC[C@H](C)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 330931921 WELYXLBKWAQNHD-IMJJTQAJSA-N 286.375 2.567 30 50 CFEA CCCCCCCC(=O)NCc1nc2ccncc2n1C 408518059 SOHADNFGUGQJAV-UHFFFAOYSA-N 288.395 2.945 30 50 CFEA C=C(C)CN(CC)C(=O)N[C@H](C)c1ccncc1OC 187487074 NKJAHHWMFHBYHJ-GFCCVEGCSA-N 277.368 2.759 30 50 CFEA CC[C@@H](C#N)C(=O)Nc1ccc(OCCOC)c(Cl)c1 585090333 JMIRWOGDQGNINE-JTQLQIEISA-N 296.754 2.853 30 50 CFEA O=C1C(O)=C(c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 5080698 LNOXMCSXGIDVIJ-UHFFFAOYSA-N 295.250 2.943 30 50 CFEA O=[N+]([O-])c1cccc(/C=N/Nc2ccccc2[N+](=O)[O-])c1 4588558 YKEQYAKHCGBJFJ-NTEUORMPSA-N 286.247 2.949 30 50 CFEA C[C@H](Nc1nc2ncccc2cc1C#N)C1(F)CC1 2325789790 MZLXPHNDRJMGLG-VIFPVBQESA-N 256.284 2.804 30 50 CFEA O=C1NC2=C(C(=O)CCC2)[C@H](c2ccccc2Cl)N1 67316 PBGRVHDYNFGNCB-ZDUSSCGKSA-N 276.723 2.701 30 50 CFEA CN([C@H]1CCC[C@@H]1C(C)(C)C)S(=O)(=O)CC1(C#N)CC1 332000535 ZYIBIRTYDAGMEN-STQMWFEESA-N 298.452 2.767 30 50 CFEA CCc1nn(CC=C(Cl)Cl)c(=O)c(C#N)c1CC 585093527 LFUWOGCMUNBLNP-UHFFFAOYSA-N 286.162 2.559 30 50 CFEA CCc1c(C(=O)N(C)c2ccc(F)cc2C#N)ccn1C 1776007103 POMASDZFAIDYGC-UHFFFAOYSA-N 285.322 2.875 30 50 CFEA CC(C)[C@@H]1C/C(=N\NC(N)=S)C=C2CCCC[C@H]21 15906110 XGXXCLXVNNPUDX-UECOFFFGSA-N 265.426 2.968 30 50 CFEA N#Cc1c(NCC2(c3ccccc3)CCC2)cc[nH]c1=N 2325861496 RPBYQMZMOICXPG-UHFFFAOYSA-N 278.359 2.900 30 50 CFEA CSc1nc(N)nc(S[C@@H]2C=CCCC2)c1C#N 27789 OYWVPSXAHQCPMB-MRVPVSSYSA-N 278.406 2.853 30 50 CFEA C=CCn1nnnc1NCc1ccc(-c2ccccc2)o1 6856449 GREMYJUGBYMGIQ-UHFFFAOYSA-N 281.319 2.731 30 50 CFEA N#Cc1c2c(c(=O)n3c1[nH]c1ccccc13)CCCC2 100123385 FZCAPZLGWPWEPP-UHFFFAOYSA-N 263.300 2.531 30 50 CFEA Cc1nc2cc(Cl)cc(B3OC(C)(C)C(C)(C)O3)c2[nH]1 170005022 QWMXPCFDUSIPOZ-UHFFFAOYSA-N 292.575 2.824 30 50 CFEA Cc1cc(C#N)c(N[C@H]2CCC[C@@H](CO)C2)nc1C 828784655 CKCQTWGJLASMEH-OCCSQVGLSA-N 259.353 2.533 30 50 CFEA COc1cccc([B-](OC(C)C)(OC(C)C)OC(C)C)n1 169935709 IWNXCUJPFMWXDX-UHFFFAOYSA-N 296.196 2.511 30 50 CFEA in-vitro CN1CCN(/C(S)=N/c2cccc(Cl)c2)CC1 8683710 DNAHPFKQGFXFPW-UHFFFAOYSA-N 269.801 2.505 30 50 CFEA CCCCCCCNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 250830111 QMFWWRKULSMUSH-IGQOVBAYSA-N 279.380 2.596 30 50 CFEA N/C(S)=N/N=C/c1ccccc1OCc1ccccc1 8684265 QTKRXJOKZCYAGZ-LICLKQGHSA-N 285.372 2.844 30 50 CFEA C=C(C)C(=O)O[C@H](CC)C(F)(F)C(=O)OC(C)(C)C 95093200 ADENAGIXOIHEFR-SECBINFHSA-N 278.295 2.861 30 50 CFEA Cc1ccc(S(=O)(=O)/N=C/c2ccccc2O)cc1 249207 HTRHOPJRRZCQJM-XNTDXEJSSA-N 275.329 2.508 30 50 CFEA in-vitro O=C(C[n+]1ccc(C(F)(F)F)cc1)c1ccccc1 5735232 IKRFRBPFJJZATP-UHFFFAOYSA-N 266.242 2.876 30 50 CFEA Cc1ccc(C/N=C(\S)NCc2ccncc2)cc1 13519467 XBDSXIPFWCVQFK-UHFFFAOYSA-N 271.389 2.966 30 50 CFEA Cc1c(B2OC(C)(C)C(C)(C)O2)[nH]c2ccccc12 169978292 PLPGPYRYHXEZGN-UHFFFAOYSA-N 257.142 2.776 30 50 CFEA O=C(NCc1ccccc1Oc1cccc(F)c1)[C@@H]1CO1 1875373289 XOSRFPIIJUGMEP-HNNXBMFYSA-N 287.290 2.633 30 50 CFEA CCc1ccc(C#CC(=O)NCc2cc(C)ns2)cc1 2325794974 YPCCVTRZWSWZGC-UHFFFAOYSA-N 284.384 2.682 30 50 CFEA CC[C@@H](c1ccc(F)cc1)S(=O)(=O)CCCC#N 190927157 HYKUMMVYAUTXRS-ZDUSSCGKSA-N 269.341 2.995 30 50 CFEA COc1ccc(C(=O)/C=C/Nc2cc(C)on2)c(OC)c1 13739347 BCMLNMXGDMCRDC-VOTSOKGWSA-N 288.303 2.809 30 50 CFEA C=C[C@](C)(O)CC(=O)NCC(C)(C)c1ccc(F)cc1 253419998 SZXNRERBYZDRNW-INIZCTEOSA-N 279.355 2.547 30 50 CFEA N#Cc1nc(N2CCC[C@H](c3ccncn3)C2)ccc1Cl 369027830 ROAGSNXJOHZZNJ-NSHDSACASA-N 299.765 2.781 30 50 CFEA O=C(N[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21)[C@H]1CO1 1875373186 VSFYLQCMNMYCGZ-HYVNUMGLSA-N 295.338 2.767 30 50 CFEA O=C1/C(=C2\Nc3ccccc3C2=O)Nc2ccccc21 100014196 COHYTHOBJLSHDF-BUHFOSPRSA-N 262.268 2.815 30 50 CFEA aggregator,biogenic,in-vitro C/C(=N\c1c2c(nc3ccccc13)N(C)CC2)N(C)C 65321234 VNPWSRSCEMHMCR-GZTJUZNOSA-N 268.364 2.839 30 50 CFEA N#Cc1cc2c(nc1NC(=O)CC[C@@H]1CCOC1)CCCC2 122040229 SGZIOPOWHKXLMF-GFCCVEGCSA-N 299.374 2.587 30 50 CFEA CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1ccc(C#N)cn1 190417400 UMUZAWQGVSTCQW-ZFWWWQNUSA-N 297.362 2.502 30 50 CFEA Cc1[nH]c2ccccc2c1NS(=O)(=O)CCCC#N 585115427 ZLSZCAFIMFLJDP-UHFFFAOYSA-N 277.349 2.522 30 50 CFEA Cc1cscc1/C(O)=N/C[C@@H]1CCn2ccnc2C1 328624153 JTGKUWYIIXDCMX-LLVKDONJSA-N 275.377 2.820 30 50 CFEA C=C(C)CN(C)C(=O)c1cccc(NC(=O)CC)c1 55308478 ZPJUSYVQFWEWSQ-UHFFFAOYSA-N 260.337 2.683 30 50 CFEA C=C/C(O)=N/C[C@]1(O)CCC[C@H](C(F)(F)F)C1 328600149 WACZDKPYOLRERK-WPRPVWTQSA-N 251.248 2.613 30 50 CFEA CC(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 169746357 APAJKMVUMKDEIC-UHFFFAOYSA-N 295.575 2.598 30 50 CFEA in-vitro CN(c1ccccc1)[C@@H]1CCN(C(=O)CC(C)(C)C#N)C1 598379037 NVOHZFYBOZQGEV-OAHLLOKOSA-N 285.391 2.664 30 50 CFEA N#CCc1cccc(N2C(=O)c3ccccc3C2=O)c1 202157493 FQMAXEIWLQXXLM-UHFFFAOYSA-N 262.268 2.553 30 50 CFEA CSc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1 1857786524 KTDJLJOXYMYLGH-UHFFFAOYSA-N 268.162 2.847 30 50 CFEA C[C@@H](c1ccccc1)[C@H]1CNC(=NCc2ccccc2)N1 1875278883 RUEFXRJFISOPHI-WMLDXEAASA-N 279.387 2.908 30 50 CFEA C#Cc1cccc(NC(=O)N2CCC[C@@H](N3CCCC3)C2)c1 373077065 CSDCOUDAMZYFBT-QGZVFWFLSA-N 297.402 2.760 30 50 CFEA C#CCN1CC[C@@](OC(=O)CC)(c2ccccc2)[C@H]1C 96026943 KLGHDMOBCKWGTK-PBHICJAKSA-N 271.360 2.563 30 50 CFEA Cc1ccc(-n2nc(C)c3cc(C#N)c(N)nc32)cc1C 252495036 OLKPRFKHAFLPJG-UHFFFAOYSA-N 277.331 2.800 30 50 CFEA C=CCC[C@H](NCc1cnn(C)c1C)[C@@]1(C)CCCO1 1616040730 DBIDTJBTRMOVJT-JKSUJKDBSA-N 277.412 2.722 30 50 CFEA Cc1cc(B2OC(C)(C)C(C)(C)O2)c2ncccc2c1 169936425 NXQVVZIFHBEJKK-UHFFFAOYSA-N 269.153 2.842 30 50 CFEA C#Cc1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 452192 FBEDLFMGBOWBQI-UHFFFAOYSA-N 296.282 2.594 30 50 CFEA Cc1nc(C2CCN(c3cc(C)c(C#N)c(C)n3)CC2)no1 2356155885 MUPDBSZDVKSHNG-UHFFFAOYSA-N 297.362 2.646 30 50 CFEA N#CCN1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 252498232 UALKFPPCSGABGH-IAGOWNOFSA-N 269.392 2.639 30 50 CFEA N#Cc1cnn2ccn(Cc3cc(F)ccc3Cl)c12 253416857 DSNCOSRHNDEBDZ-UHFFFAOYSA-N 274.686 2.848 30 50 CFEA O=C1/C(=C/c2ccc(O)cc2O)Oc2ccccc21 299738257 OFGMOGYMLLPYAC-AUWJEWJLSA-N 254.241 2.714 30 50 CFEA C[C@@H]1CN(CCOc2ccc(C#N)cc2)CC[C@H]1C 103408233 STSLBMIQEBKTIF-ZIAGYGMSSA-N 258.365 2.915 30 50 CFEA COCC[C@H]1CCCCN(c2snc(C)c2C#N)C1 376399035 YINQWGRLZVFDFG-GFCCVEGCSA-N 279.409 2.966 30 50 CFEA C[C@@H]1CN(C)[C@H](C)C/C1=N\Oc1ccccc1[N+](=O)[O-] 13556421 UQBBTDSGUQJIBT-JUPAPPBASA-N 277.324 2.690 30 50 CFEA N#Cc1ccc(F)c(CCc2noc3c2COC3)c1 2325871308 HIMUPUZDLXBVSP-UHFFFAOYSA-N 258.252 2.501 30 50 CFEA C#CCO[C@]1(c2ccccc2)OC(=O)c2ccccc21 4141692 WTMCVCIZJVIOAL-QGZVFWFLSA-N 264.280 2.708 30 50 CFEA Cn1cc2c(n1)CCC[C@@H]2Nc1ccc(C#N)cc1F 282359532 XGVDWVPGFFDZQC-ZDUSSCGKSA-N 270.311 2.920 30 50 CFEA CCn1nc(-c2ccc(C(C)(C)C#N)cc2)nc1N(C)C 426691368 YAQDPYXTOVELLE-UHFFFAOYSA-N 283.379 2.832 30 50 CFEA C=CC(=O)Nc1ccc(C(=O)N(C[C@H](C)C#N)C2CC2)cc1 1447066619 FCXGOLNVUJRXET-GFCCVEGCSA-N 297.358 2.575 30 50 CFEA Cc1nc(C(C)C)sc1B1OC(C)(C)C(C)(C)O1 169905057 JLEUVXUJQARRSX-UHFFFAOYSA-N 267.203 2.874 30 50 CFEA in-vitro CC(=O)C1=C(O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1 13146923 YDDHSNFHTLNLJU-BBWFWOEESA-N 288.343 2.531 30 50 CFEA C=C(C)COc1ccccc1C(=O)NCc1cnc(C)cn1 55061175 RPCDHUQPAVTYLM-UHFFFAOYSA-N 297.358 2.670 30 50 CFEA C[C@H]1CN(Cc2nc(C#N)cs2)Cc2ccccc2O1 430127030 QTTOQDNANWKUAC-NSHDSACASA-N 285.372 2.798 30 50 CFEA O/C(=N/C[C@@H]1CCn2ccnc2C1)Nc1ccsc1 328618755 FARHMUXUVBZUPY-SNVBAGLBSA-N 276.365 2.533 30 50 CFEA N#Cc1ncn(CC(=O)c2ccc3ccccc3c2)c1C#N 126427820 HPDIZAQZEXCOEJ-UHFFFAOYSA-N 286.294 2.663 30 50 CFEA Cc1nc(CC/N=C(/O)C[C@H]2CCOC2)sc1C 330066426 SWDRKBBPWHQTBJ-LLVKDONJSA-N 268.382 2.686 30 50 CFEA N#CC1CCN(C[C@H]2CCOc3ccccc3C2)CC1 95504807 HIBYRDSTQDAJDV-HNNXBMFYSA-N 270.376 2.863 30 50 CFEA CC(C)(C)[C@H]1OCC[C@@H]1CNc1ccc(C#N)cn1 189139237 MHUQCQFKULNDNU-OCCSQVGLSA-N 259.353 2.816 30 50 CFEA CCOC(=O)[C@@H]1[C@@H](B2OC(C)(C)C(C)(C)O2)[C@@H]1C(C)C 1857779460 VPNDMGPIMQLSHB-WOPDTQHZSA-N 282.189 2.914 30 50 CFEA CC1(C)OB(c2ccc(F)c3occc23)OC1(C)C 958680674 XGDWBHFCMQDIPF-UHFFFAOYSA-N 262.089 2.871 30 50 CFEA O=C1C(=O)c2ccccc2/C1=C/c1ccc2c(c1)OCO2 2842637 PVSIWCKBVKAVLG-QPEQYQDCSA-N 278.263 2.721 30 50 CFEA C#CCOC(=O)CCCC(=O)Nc1ccc(Cl)cc1 2913572 CPHYUHTUKPMTFN-UHFFFAOYSA-N 279.723 2.625 30 50 CFEA C=CCn1cc(CNCCc2ccc(F)cc2)c(C)n1 55357854 GGZKSVUQXXEKDR-UHFFFAOYSA-N 273.355 2.849 30 50 CFEA C#CCCCCC(=O)Nc1cccc(-n2cnnc2C)c1 120338953 SCPUCLXKYQPKQY-UHFFFAOYSA-N 282.347 2.708 30 50 CFEA CC(C)OC1=C(OC(C)C)[C@]2(C)CC[C@H](C)[C@]2(O)C1=O 71786690 NDYLCWSEEISOJU-UVBJJODRSA-N 282.380 2.798 30 50 CFEA Fc1ccccc1C=NN1CCN(Cc2ccccc2)CC1 240824916 QMBNPQTYBJXJAK-UHFFFAOYSA-N 297.377 2.977 30 50 CFEA CC(/C=N/Nc1nc(C)cc(=O)[nH]1)=C\c1ccccc1 17861120 DVHWAWBKZIAYLA-AIEDVMPDSA-N 268.320 2.580 30 50 CFEA C=CCOc1ccc(Oc2cc(C)nc(SC)n2)nn1 2830623 PIKFNITZQWMMEA-UHFFFAOYSA-N 290.348 2.654 30 50 CFEA Cc1noc(C)c1Cc1noc(C2(C#N)CCCCC2)n1 350470531 BQCZFZTTZFSTBE-UHFFFAOYSA-N 286.335 2.991 30 50 CFEA CN(C)Cc1ccoc1/C(O)=N/[C@H]1COc2ccccc21 328592759 MXBOTZJVTJVZND-ZDUSSCGKSA-N 286.331 2.780 30 50 CFEA COc1ccc2c(c1)[C@@H](C)CN(c1nccnc1C#N)CC2 372135952 HOTDLAZWOFNPHI-LBPRGKRZSA-N 294.358 2.523 30 50 CFEA CN1[C@H]2CC[C@H]1CN(c1nc3c(cc1C#N)CCCC3)CC2 240871402 IKHSKSCQRVACFV-HOTGVXAUSA-N 296.418 2.505 30 50 CFEA C=CCN1CCC[C@H]1C(=O)NC1(Cc2ccccc2)CC1 534631776 PQZQOHVGQAHDLJ-INIZCTEOSA-N 284.403 2.528 30 50 CFEA C=CC[C@H](C(=O)N[C@@H]1CCn2nccc2C1)c1ccccc1 1615606449 YLWYNBUGMHFPAD-WBVHZDCISA-N 295.386 2.674 30 50 CFEA C=CCNC(=O)Nc1ccc(Br)cc1 2167728 VWSYZRALJDAYLL-UHFFFAOYSA-N 255.115 2.757 30 50 CFEA Cc1cc(O)cc(C)c1-c1c(C)nn2cc(C#N)cnc12 1772814733 QCRUUEWOSQLNIY-UHFFFAOYSA-N 278.315 2.899 30 50 CFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1C 2300001 WXTZAKJDWNKEIG-VIFPVBQESA-N 277.364 2.706 30 50 CFEA Cc1nc(F)ccc1-c1cn(-c2ccc(C#N)cc2)nn1 2325818302 RZAUBGMJNJCORO-UHFFFAOYSA-N 279.278 2.649 30 50 CFEA CCOC(=O)[C@@H](B1OC(C)(C)C(C)(C)O1)C(C)C 170006941 MSYJIEUSBKFHHM-JTQLQIEISA-N 256.151 2.668 30 50 CFEA C=CCc1cc(OC)ccc1OCCCN1CCOCC1 20118722 UPGLGLJEWMAFRS-UHFFFAOYSA-N 291.391 2.525 30 50 CFEA C=C[C@@H](C)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1 472352479 ZGCGPCDMLCHQET-MRVPVSSYSA-N 283.253 2.657 30 50 CFEA COc1ccc(OCC#CCSc2ncccn2)cc1 2839020 BDCJSKZWCWAGCD-UHFFFAOYSA-N 286.356 2.660 30 50 CFEA CC1(C)CCC[C@@H](N/C(O)=N/CC2=CCCOC2)C1 329569441 UIGCEETWFXHXKN-CYBMUJFWSA-N 266.385 2.806 30 50 CFEA CC1(C)OB(c2cc3ccoc3cc2F)OC1(C)C 217529309 VJOZZZPANABKOS-UHFFFAOYSA-N 262.089 2.871 30 50 CFEA C=C(C)CN1CCC(N[C@H]2CCCC23CCOCC3)CC1 241775893 RPZVBZLMFRSCEY-KRWDZBQOSA-N 292.467 2.966 30 50 CFEA N#Cc1nccnc1NCCc1ccccc1OC(F)F 302778721 QGJQOVPJKLBRQN-UHFFFAOYSA-N 290.273 2.604 30 50 CFEA C=CC[C@H](C)N[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 245846675 DYNBLDCLXZKETH-YNEHKIRRSA-N 268.401 2.986 30 50 CFEA COc1cnc(N/C(O)=N/C[C@H]2CC=CCC2)s1 330491884 PWIPLEYLEBCYNF-VIFPVBQESA-N 267.354 2.834 30 50 CFEA N#C[C@H](Cc1cccc([N+](=O)[O-])c1)OC(=O)c1ccccc1 2164877 JUGLQVFABUTRTJ-HNNXBMFYSA-N 296.282 2.886 30 50 CFEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)C(C)C 12381835 IBICOTFCHFCLER-UHFFFAOYSA-N 285.347 2.907 30 50 CFEA C=CCn1c(-c2cccc(OC)c2OC)n[nH]c1=S 13496952 VHJNLUZERSHLPD-UHFFFAOYSA-N 277.349 2.811 30 50 CFEA CN1C[C@H](Cc2ccccc2)N/C1=N/Cc1ccccc1 1775993793 KZHZNPQKLCOREN-KRWDZBQOSA-N 279.387 2.689 30 50 CFEA N#Cc1cccc(CCN=c2[nH]c3ccccc3[nH]2)c1 359948208 ZBRSFAOLKVOPAL-UHFFFAOYSA-N 262.316 2.511 30 50 CFEA CC(C)[C@H]1CN(c2nc3ccccc3cc2C#N)CCN1 842291776 OIYRXGYPPMPUEU-MRXNPFEDSA-N 280.375 2.541 30 50 CFEA CN(Cc1cn2ccccc2c1C#N)[C@@H](CO)C(C)(C)C 134381661 PZQFXYOOIOLWCH-INIZCTEOSA-N 285.391 2.650 30 50 CFEA CCCC[C@H](CCC)/N=C(/O)N1CCCOCC1 328588715 NBMSCYAIECOFMN-ZDUSSCGKSA-N 256.390 2.982 30 50 CFEA N#Cc1ccccc1-c1nccnc1N1CCCC1 216339050 GFULMBBYPFHLRU-UHFFFAOYSA-N 250.305 2.615 30 50 CFEA C=C(CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 198446863 QACWDBPHSRQMNX-UHFFFAOYSA-N 283.177 2.699 30 50 CFEA in-vitro Cc1ccccc1/N=C/c1nc(C#N)c(C#N)nc1C 2029377 DTGRMYWZOMBHIY-GIJQJNRQSA-N 261.288 2.587 30 50 CFEA COc1ccc([C@@H]2O[C@@]23Cc2ccccc2C3=O)cc1 163791 LZNLWNYATXBVFQ-DLBZAZTESA-N 266.296 2.944 30 50 CFEA CC1(C)CCCN(C(=O)COCC2CCCC2)[C@H]1C#N 456040743 NMOKPTAFHVYIMN-AWEZNQCLSA-N 278.396 2.734 30 50 CFEA CCn1c(NC(=O)c2cccnc2)nc2cc(C#N)ccc21 131770526 FCRPIMSONVSGII-UHFFFAOYSA-N 291.314 2.575 30 50 CFEA C=C(CC)CNC(=O)c1ccc2nc(O)n(C3CC3)c2c1 616113166 JDDCMRJMHUJXKX-UHFFFAOYSA-N 285.347 2.773 30 50 CFEA C[C@@H](NCCOc1cccc(C#N)c1)c1ccccn1 181780616 GPYDFCSNWXAPHF-CYBMUJFWSA-N 267.332 2.683 30 50 CFEA C#CCCCC(=O)N1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C 408521807 JWMNZWQWLNRHKG-UONOGXRCSA-N 293.407 2.759 30 50 CFEA O=C(/C=C/c1ccc(O)cc1)c1cn(-c2ccccc2)nn1 165016821 OITGPSXCKYUCCH-DHZHZOJOSA-N 291.310 2.869 30 50 CFEA C=CCn1c(C)nnc1SC[C@]12C[C@H]1COC21CCC1 1615548481 FAGFRWTUCRQUDE-GXTWGEPZSA-N 291.420 2.824 30 50 CFEA N#Cc1ncccc1OC[C@H]1CCN(c2ccccc2)C1 1616041068 JKQMBKNNWHGSOY-AWEZNQCLSA-N 279.343 2.859 30 50 CFEA C=CCNC(=S)NCc1cccc2ccccc12 5600990 BZZMKDGSIPYTDB-UHFFFAOYSA-N 256.374 2.990 30 50 CFEA CCOC(=O)[C@@H]1[C@@H](CC)[C@H]1B1OC(C)(C)C(C)(C)O1 1857779073 LZGOECFGEDSLSK-GMTAPVOTSA-N 268.162 2.668 30 50 CFEA C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1O 253207175 XNVQKGRINDCFIQ-NOZJJQNGSA-N 284.281 2.784 30 50 CFEA Cn1ccnc1[C@@H](C#N)C(=O)CCSc1ccccc1 888099586 RLNWXAOMJRPPPH-ZDUSSCGKSA-N 285.372 2.779 30 50 CFEA C#CCOC(=O)CCC(=O)Nc1cccc2ccccc12 2496326 ONVPVDDOINRRCA-UHFFFAOYSA-N 281.311 2.735 30 50 CFEA CC(C)c1cc(-c2ccc(O)c(O)c2)c(C#N)c(N)n1 67805607 ZXRNWVXQMWJQQT-UHFFFAOYSA-N 269.304 2.737 30 50 CFEA N#Cc1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)F 2784671 VHGGATHNAQXGEN-DTWKUNHWSA-N 264.235 2.711 30 50 CFEA Cc1ccccc1N1CC[C@@H](CNCc2c[nH]c(C#N)c2)C1 952872761 SUYNRTYJSLPPRM-HNNXBMFYSA-N 294.402 2.811 30 50 CFEA CSC(C)(C)CN[C@H](C)CC1(C#N)CCOCC1 585117515 IYJMELOGBIGYRO-GFCCVEGCSA-N 270.442 2.817 30 50 CFEA NS(=O)(=O)c1ccc(/N=C/c2ccc(Cl)cc2)cc1 61317 VQQSDPZPWPCNKN-CXUHLZMHSA-N 294.763 2.738 30 50 CFEA C(=N/Nc1nnn[nH]1)\c1c2ccccc2cc2ccccc12 4181238 FVBJYULTVHHCDR-LICLKQGHSA-N 288.314 2.952 30 50 CFEA CCC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C 405020100 GEEREQHUKAPHBK-UHFFFAOYSA-N 289.184 2.643 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)N[C@H]1CC=CCC1 328623741 JKNXJUKHGZBDFF-HZSPNIEDSA-N 266.385 2.660 30 50 CFEA C[C@H]1CN(Cc2ccncc2C#N)Cc2ccccc2O1 592122164 GDEDARKXVPXKHH-ZDUSSCGKSA-N 279.343 2.736 30 50 CFEA CC#CC(=O)N(C[C@H]1CCCO1)C1CCC(C)CC1 801161325 HOTYZKBMQNBPCV-YMAMQOFZSA-N 263.381 2.596 30 50 CFEA Cc1nc(NO[C@H](CO)C2CCCC2)c(Cl)cc1C#N 1875279023 OIEMVEFPAIRZJB-CYBMUJFWSA-N 295.770 2.810 30 50 CFEA CCc1nnc(C[C@@H]2CC[C@H](Nc3cnccc3C#N)C2)o1 1775957620 DYIHDYKWPJZQGU-YPMHNXCESA-N 297.362 2.722 30 50 CFEA CCCC(=O)ON1C(=O)c2cccc3cccc(c23)C1=O 620127 OFPYNXQHQFQFJK-UHFFFAOYSA-N 283.283 2.694 30 50 CFEA C[C@@H](Oc1cccc(/C=C/c2ccncc2C#N)c1)C(=O)O 349102471 APVQYITXHYIPCE-BTDICHCPSA-N 294.310 2.976 30 50 CFEA COCC/N=C(/S)N1CCC(Cc2ccccc2)CC1 13519288 NINMZLMKPQBEIL-UHFFFAOYSA-N 292.448 2.873 30 50 CFEA N#C[C@H]1CCCN1C(=O)c1cc(Cl)nc(Cl)c1 236072761 HNQTYWSYQBMMSP-MRVPVSSYSA-N 270.119 2.517 30 50 CFEA Cc1nsc(N2CC[C@]3(C)[C@@H](C2)C3(F)F)c1C#N 291955308 NTFZUTLUSNGTHM-MWLCHTKSSA-N 269.320 2.805 30 50 CFEA N=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=N)O 1759691 SVURUIRNGAQISR-UHFFFAOYSA-N 288.094 2.598 30 50 CFEA in-vitro COc1ccc(C(F)(F)C(=O)N(C)CC(C)(C)C#N)cc1 817611508 NYBXVACSVYGYTR-UHFFFAOYSA-N 296.317 2.795 30 50 CFEA N#Cc1cc(F)cc(OC(=O)N2CCC(F)(F)C2)c1 2325901760 WWJGEUZISKBJTF-UHFFFAOYSA-N 270.210 2.537 30 50 CFEA CCCN(CC#Cc1ccccc1)C(=O)c1cccnc1 55343337 NSKYJRGHUDONRP-UHFFFAOYSA-N 278.355 2.986 30 50 CFEA CC1(C)OB(c2cccc(-n3cccc3)c2)OC1(C)C 306825617 XLPMAGPPJYOVHQ-UHFFFAOYSA-N 269.153 2.777 30 50 CFEA CC1CCN(C/C(O)=N/c2nnc(C3CC3)s2)CC1 20018466 IZJJIFZYZJBNKB-UHFFFAOYSA-N 280.397 2.735 30 50 CFEA N#Cc1cccnc1N1CCC[C@@](O)(c2ccccc2)CC1 365978197 LCUMTRIXWYMLTE-SFHVURJKSA-N 293.370 2.831 30 50 CFEA CC1(C)OB(c2cccc3ncsc23)OC1(C)C 203735811 HJIDZRNYZCNQMK-UHFFFAOYSA-N 261.155 2.596 30 50 CFEA O=C1/C(=C\c2ccccc2O)Oc2cc(O)ccc21 935987 WEEYRFRNWMFAKW-VGOFMYFVSA-N 254.241 2.714 30 50 CFEA CCC(C)(C)C/N=C(/O)N[C@H]1CCc2nc(C)ncc2C1 328588490 QMDIRTKQWGNJCW-ZDUSSCGKSA-N 290.411 2.582 30 50 CFEA N#Cc1cc2cccnc2nc1N1CC[C@H]1[C@H]1CCCOC1 1775296200 KYCXNDNDRVHJNG-ZFWWWQNUSA-N 294.358 2.507 30 50 CFEA Cc1ccnc(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1C#N 343280362 LTAFEEIJYGVTER-GOEBONIOSA-N 297.333 2.713 30 50 CFEA C[C@@H]1C2=C([C@H]3CC[C@H]2C3)[C@H](C)[C@H]2C(=O)C=CC(=O)[C@H]12 101002986 MFWXBRNFSDCQBU-NWPADQBGSA-N 256.345 2.939 30 50 CFEA CCSc1cccnc1C(=O)N[C@H](CC)CC#N 450621750 IXNSKLWSWYSKQJ-SNVBAGLBSA-N 263.366 2.616 30 50 CFEA CC1(C)OB(c2cccc(NCl)c2)OC1(C)C 216632609 WSDVKPCGDAELPW-UHFFFAOYSA-N 253.538 2.552 30 50 CFEA CCCOc1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl 242649026 RRSFXULCXWDZKL-UHFFFAOYSA-N 297.591 2.823 30 50 CFEA Oc1ccccc1/C=N/N1CCN(Cc2ccccc2)CC1 19771329 NVQRMPQPJSCBRR-XMHGGMMESA-N 295.386 2.544 30 50 CFEA OCC#C[C@H](O)c1sc(Cl)c(Cl)c1Cl 2298159 DTGHGPPRGYTKCF-BYPYZUCNSA-N 271.552 2.737 30 50 CFEA Cc1cc(-c2cccnc2)c(C#N)c(SCC(=O)O)n1 4175311 LVWBWGZKBMHZFM-UHFFFAOYSA-N 285.328 2.500 30 50 CFEA CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H]1CCc2ccccc21 241132763 JLNAKOUQJGPVQC-FUHWJXTLSA-N 299.418 2.660 30 50 CFEA CCc1cc(C#N)ccc1NC(=O)N1CCC[C@H]1COC 95522826 HOUAKJDCLPFYBH-AWEZNQCLSA-N 287.363 2.763 30 50 CFEA COCCN(Cc1ccccc1)c1ccc(C#N)nc1 133509815 YMZUAYZMSVDGLX-UHFFFAOYSA-N 267.332 2.606 30 50 CFEA CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC#N 190742370 REEYUIFDXQIBDT-UHFFFAOYSA-N 284.281 2.914 30 50 CFEA C=CCOc1ccccc1B1OC(C)(C)C(C)(C)O1 211234585 ZZDXCUHKANAGNJ-UHFFFAOYSA-N 260.142 2.551 30 50 CFEA CN(CCO)c1oc(-c2cccc3ccccc23)nc1C#N 1857798963 HWBBAMCRBWWPJW-UHFFFAOYSA-N 293.326 2.795 30 50 CFEA C#CCCCCCOS(=O)(=O)c1ccc(C)cc1 115041310 XYHZCWQGARGTDB-UHFFFAOYSA-N 266.362 2.894 30 50 CFEA N#Cc1ccccc1NC(=O)C(Cl)(Cl)Cl 456593 JBLQSXYHCNASCW-UHFFFAOYSA-N 263.511 2.867 30 50 CFEA CCOc1ccc(-c2ncn(CCC#N)c2[N+](=O)[O-])cc1 2054941 XTJLOWNWHJEZJZ-UHFFFAOYSA-N 286.291 2.771 30 50 CFEA N#Cc1cc(Br)cc(Br)c1O 163373 IZOWHVRXNOVUGY-UHFFFAOYSA-N 276.915 2.789 30 50 CFEA biogenic CC#CC(=O)NC[C@@H](CCCOC)c1ccc(Cl)cc1 286272673 IFEBXBCFSPHSES-CQSZACIVSA-N 293.794 2.990 30 50 CFEA C=CCN[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 248827193 GNRGSHHPSHTUCV-BJWYYQGGSA-N 256.393 2.958 30 50 CFEA CSCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 201765987 SKNPQEWTHWBCOQ-UHFFFAOYSA-N 264.199 2.849 30 50 CFEA CC1(C)OB(c2cnc(Cl)c(Cl)c2)OC1(C)C 169969130 LLWQIUJPPCEKAU-UHFFFAOYSA-N 273.956 2.688 30 50 CFEA Cc1csc(C2=C(N)N([C@H](C)c3ccccc3)CC2=O)n1 13719099 PMZKEDLBZYLMBY-LLVKDONJSA-N 299.399 2.725 30 50 CFEA C=CC[C@H](CC)NC(=O)N[C@@H](CC)[C@@H]1CCCO1 252493663 NFDSRKQNNOMNCO-AVGNSLFASA-N 254.374 2.598 30 50 CFEA C#CCCC1(CCC(=O)NC[C@H]2OCc3ccccc32)N=N1 952879834 BLGXFXVAFSAOFP-OAHLLOKOSA-N 297.358 2.730 30 50 CFEA CCCC(=O)Oc1c(Cl)cc(C#N)cc1OC 4808764 BOAJYTYMJVMOFV-UHFFFAOYSA-N 253.685 2.926 30 50 CFEA CC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1Cl 5523301 CYEJCMAAAMMALG-NSHDSACASA-N 263.724 2.807 30 50 CFEA CCOCn1cc(C#N)c(=O)c2cc(Cl)ccc21 154545459 AFHFHHARJWHWBO-UHFFFAOYSA-N 262.696 2.521 30 50 CFEA C/C(NOC(=O)/C=C/c1ccccc1)=C1/OC1(C)C 71779378 JBAOSEDJTCPEQQ-POLRJCGMSA-N 259.305 2.788 30 50 CFEA Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1F 95616792 BRZMDESUDCYGTI-UHFFFAOYSA-N 277.139 2.720 30 50 CFEA in-vitro CCOC(=O)c1cc(F)cc(Br)c1C#N 263625295 YLHLEXPPRRKBBJ-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA N#Cc1ccnc(NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1 581267864 GUCQMMKQSHOIGA-WCQYABFASA-N 299.296 2.849 30 50 CFEA COc1cc(C(=O)N(C2CC2)C2(C#N)CCC2)ccc1F 585748601 TZPLDYJHCAXUEF-UHFFFAOYSA-N 288.322 2.885 30 50 CFEA N#CCc1ccc(NC(=O)COc2ccccc2F)cc1 5280800 MUNXKXUFFCZVOY-UHFFFAOYSA-N 284.290 2.909 30 50 CFEA Cc1cccc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)c1 1430760 ZJVCVGDHSNYFKT-LBPRGKRZSA-N 255.317 2.606 30 50 CFEA C=CCc1cc(C)ccc1OCCOCCN(C)C 2824121 IAPCDUWWXIJKST-UHFFFAOYSA-N 263.381 2.681 30 50 CFEA CC[C@@H](C)CC(=O)Nc1ccc(-n2cc(C#N)c(N)n2)cc1 225630193 LBUYBYWBRVASRH-LLVKDONJSA-N 297.362 2.701 30 50 CFEA N#Cc1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)F 2784670 VHGGATHNAQXGEN-RKDXNWHRSA-N 264.235 2.711 30 50 CFEA C=CCN(Cc1ccsc1)C(=O)[C@@H]1CC12CCNCC2 952960862 DFPHHKKFMLABAJ-AWEZNQCLSA-N 290.432 2.652 30 50 CFEA Cc1nnc(N2CCC[C@H](c3ccncc3)C2)c(C#N)c1C 596254218 OHMBRDBOHRGJES-HNNXBMFYSA-N 293.374 2.744 30 50 CFEA Cc1cc(/C=N/O)c(C)n1-c1ccc([N+](=O)[O-])cc1 295214 UWDBFEPIBZHJKW-RIYZIHGNSA-N 259.265 2.810 30 50 CFEA CC#CC(=O)NCCc1cn(C)c2cc(Cl)ccc12 801216935 ZMTXHDOWGPKUOR-UHFFFAOYSA-N 274.751 2.514 30 50 CFEA N#Cc1cc2cccnc2nc1N1CC[C@H]1[C@@H]1CCCOC1 1775296198 KYCXNDNDRVHJNG-HIFRSBDPSA-N 294.358 2.507 30 50 CFEA CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)CCC2 1430825 HBTGOSIMNDYJOC-GFCCVEGCSA-N 285.343 2.696 30 50 CFEA Cc1cc(=NC[C@H]2CSc3ccccc32)c(C#N)c[nH]1 425271575 VKDDGYGRZNXFDT-ZDUSSCGKSA-N 281.384 2.985 30 50 CFEA C[C@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CCCCO1 151615220 XYVZQYQJFYEEAU-DOTOQJQBSA-N 286.375 2.587 30 50 CFEA N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C[C@H]1CCOC1 329845873 YBJUSPRQEHWFDF-OIISXLGYSA-N 298.386 2.711 30 50 CFEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1sccc1C 281879715 TZACXGYNRKHKKS-GXTWGEPZSA-N 294.420 2.837 30 50 CFEA N#Cc1ccccc1C(=O)NCCc1nc2ccccc2o1 222598920 HBVUHRDBUZBKDQ-UHFFFAOYSA-N 291.310 2.672 30 50 CFEA Cc1nc(NC[C@H]2CCN(CC(F)(F)F)C2)ccc1C#N 291669991 PXLXECSESSFVAS-LLVKDONJSA-N 298.312 2.558 30 50 CFEA Cn1c(S[C@@H](C#N)C2CC2)nnc1-c1cccs1 585118800 CIEZTRUAJAOYML-JTQLQIEISA-N 276.390 2.938 30 50 CFEA C#CCN1C(=O)S/C(=C/C=C/c2ccc(OC)cc2)C1=O 1113052 LGKZBNVZFDGNKF-GQLYJEGOSA-N 299.351 2.921 30 50 CFEA O=C(/C=C\c1ccc(Cl)cc1)c1cccc[n+]1[O-] 4566701 PWMMRVSWRGVRSZ-TWGQIWQCSA-N 259.692 2.870 30 50 CFEA N#Cc1ccc(N2CCC[C@@H](CC(N)=O)CC2)cc1Cl 585783824 KCWCHCLOGAHDHU-LLVKDONJSA-N 291.782 2.694 30 50 CFEA N#Cc1cc(OC[C@H]2C[N@]2C2CCC2)ccc1Cl 1875379448 QLLUJAMRYPMZCL-SJKOYZFVSA-N 262.740 2.827 30 50 CFEA N#Cc1cnc(C2CC2)nc1N1CCC[C@H]1[C@H]1CCCOC1 1875313081 GWOLGADHTNRWCQ-ZFWWWQNUSA-N 298.390 2.621 30 50 CFEA C=CCCC1(C(=O)O)CCN(Cc2nccs2)CC1 1776169629 JOKOTQFVFYUPSJ-UHFFFAOYSA-N 280.393 2.776 30 50 CFEA CC1(C)CC(=O)C(=CNCc2cccc(F)c2)C(=O)C1 100442004 HAEDCYXBASZTAF-UHFFFAOYSA-N 275.323 2.757 30 50 CFEA C[C@H](C(=O)[C@@H](C#N)C(=O)NC1CC1)c1cc2ccccc2o1 170652287 DJOSTXIXSBVPOO-GXFFZTMASA-N 296.326 2.524 30 50 CFEA C[C@]1(C(=O)Nc2nc3ccccc3cc2C#N)CCCOC1 1615587639 OVNIVVQQMHVQNI-KRWDZBQOSA-N 295.342 2.862 30 50 CFEA C#CCCC1(CCC(=O)Nc2ccc(C)c(C(=O)O)c2)N=N1 1615629259 QOQSTKKRIVAVTI-UHFFFAOYSA-N 299.330 2.987 30 50 CFEA CSc1sc(SC)c(/C=N/O)c1/C=N/O 219312 QYYMOSMCUGASOH-LQIBPGRFSA-N 262.381 2.808 30 50 CFEA C(=N/n1cnnc1)\c1ccc(OCc2ccccc2)cc1 229032 WWOGBFTYJYMQHT-VXLYETTFSA-N 278.315 2.739 30 50 CFEA N#Cc1ccc(Br)nc1N1C[C@H]2CCC[C@H]2C1 952883304 KSSLTLYEAFDSPA-PHIMTYICSA-N 292.180 2.952 30 50 CFEA Cc1oc2ccccc2c1CN=c1ccc(C#N)c(N)[nH]1 1875344319 CANZGZMVPLHHHS-UHFFFAOYSA-N 278.315 2.624 30 50 CFEA O=C1c2cccc3c(Br)ccc(c23)C(=O)N1O 96989 SMFFDONWMCQXFW-UHFFFAOYSA-N 292.088 2.588 30 50 CFEA COc1ccc(C(=O)/C(=N\O)c2ccc(OC)cc2)cc1 59556816 JIDNNCOZIXYDDS-ICFOKQHNSA-N 285.299 2.765 30 50 CFEA CC1(C)COB(c2ccc(-c3ccc(C#N)cc3)cc2)OC1 498047585 IDEYETVVQVRHSS-UHFFFAOYSA-N 291.159 2.993 30 50 CFEA CCc1ccccc1OC1CN(c2ccc(C#N)cn2)C1 1529158791 MALYCYYTCWMOFC-UHFFFAOYSA-N 279.343 2.783 30 50 CFEA COC(=O)c1cccc2c1-c1ccccc1/C2=N\O 12378336 NGVLXRBIJYFIFM-JQIJEIRASA-N 253.257 2.680 30 50 CFEA C=C1C(=O)O[C@H](CCCCCCCC)[C@@H]1C(=O)O 14128028 VCWLZDVWHQVAJU-VXGBXAGGSA-N 254.326 2.919 30 50 CFEA in-vitro C#CCCC1(CCC(=O)N2CC(CC(F)(F)F)C2)N=N1 952881763 QAILVSFHKHJFRZ-UHFFFAOYSA-N 287.285 2.753 30 50 CFEA CC(C)C#CC(=O)N1CC(C)(C)[C@H]1c1nccn1C1CC1 952895673 VLFZLBITFSIVLR-OAHLLOKOSA-N 285.391 2.787 30 50 CFEA C=CC[C@H]1CCC[C@H]1NC(=O)/C=C/c1ccc(C(=O)O)o1 1875270622 MHFBNUXOKPTGNW-YRFMYUJQSA-N 289.331 2.852 30 50 CFEA CC(C)C[N@]1C[C@@H]1COc1cnc2ccc(C#N)cc2c1 1875379924 ZRRJCVOYRWNLDB-FOIQADDNSA-N 281.359 2.825 30 50 CFEA C[C@H]1C[C@H]1c1nnc2ccc(Oc3ccccc3C#N)nn12 2325790410 JVVDGVGRNZEUSI-CMPLNLGQSA-N 291.314 2.912 30 50 CFEA N#Cc1cccc(CC(=O)Nc2noc3c2CCCC3)c1 900779624 GVGHVNKICYPZEO-UHFFFAOYSA-N 281.315 2.606 30 50 CFEA CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(Cl)c1 147695 NTRXBHAKTGACNQ-ZDUSSCGKSA-N 288.738 2.809 30 50 CFEA C=CCN(CC#CCOc1ccccc1OC)CC=C 20406255 DXZSRTDJHPPQPH-UHFFFAOYSA-N 271.360 2.751 30 50 CFEA C=C1C[C@@H]1C(=O)NCCc1ccc(OC(C)C)cc1 606445398 DHJPYBVZMQXVJM-HNNXBMFYSA-N 259.349 2.709 30 50 CFEA C=C(C)COCCNC(=O)c1cc2c(F)cccc2[nH]1 162321458 INWOZXHQWHHORB-UHFFFAOYSA-N 276.311 2.630 30 50 CFEA C=CCCC[C@H](NC[C@H](C)CCO)[C@@]1(C)CCCO1 952882423 QREGVMKSKGFABV-OWCLPIDISA-N 269.429 2.889 30 50 CFEA CC(C)C[C@H](N)B1O[C@@H]2C[C@H]3C[C@@H](C3(C)C)[C@]2(C)O1 202055875 YYXCDWMJTBCHJW-JYKNGBAOSA-N 265.206 2.627 30 50 CFEA N#Cc1cccc(NC(=O)COc2ccccc2)c1 143249 MVEPCMBKBWCNRV-UHFFFAOYSA-N 252.273 2.576 30 50 CFEA COc1cccc(/C=N/c2cccc(C(=O)O)c2)c1O 505870 FCGNZCXCFZVBCJ-CXUHLZMHSA-N 271.272 2.850 30 50 CFEA CC1(C)OB(c2ccc(C(F)(F)F)c(N)c2)OC1(C)C 170005942 SNJHQQKTSZCWPX-UHFFFAOYSA-N 287.090 2.587 30 50 CFEA C=CCn1cc(CNC[C@H](C)n2nc(C)cc2C)c(C)n1 55197501 FBGXVLYRWIZESN-AWEZNQCLSA-N 287.411 2.542 30 50 CFEA N#Cc1cc(N2CCC=C(c3ccncc3)C2)ccn1 343907228 GRKYPQAQOSWJCQ-UHFFFAOYSA-N 262.316 2.642 30 50 CFEA CCN(CC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 252498339 QZDNXTZECXGDMA-ZDUSSCGKSA-N 281.400 2.621 30 50 CFEA C=CCc1ccc(C(=O)N2CCO[C@@H](C(F)(F)F)C2)cc1 71761473 MQSRKXVLGOXZPW-CYBMUJFWSA-N 299.292 2.818 30 50 CFEA N#Cc1ccc(CN2CCC(Oc3ccncc3)CC2)cc1 826779447 HQFRKHIHIJSMDS-UHFFFAOYSA-N 293.370 2.997 30 50 CFEA C[C@H]1CCCN(C(=O)COc2ccc(C#N)c(Cl)c2)C1 190250452 LCHOCKKYQCAFPR-NSHDSACASA-N 292.766 2.849 30 50 CFEA C#C[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CCCO1 775428351 NCIVBKAKCCAAHV-OLZOCXBDSA-N 296.729 2.781 30 50 CFEA N#Cc1cc(Br)c(N)c(Br)c1 2243487 UWIGJWZPRNWPBK-UHFFFAOYSA-N 275.931 2.665 30 50 CFEA in-vitro C#CC1(OC[C@@H](O)CNC2CCCCC2)CCCCC1 12342643 URVOITLNDVIRGR-INIZCTEOSA-N 279.424 2.622 30 50 CFEA COC(=O)c1ccc(COc2ccc(/C=N/O)cc2)cc1 13109048 AASRCAVLTYZUNY-LICLKQGHSA-N 285.299 2.860 30 50 CFEA biogenic COC(=O)c1cn(CCC#N)nc1-c1cccc(Cl)c1 16399907 QUGDKFSQGATNGT-UHFFFAOYSA-N 289.722 2.904 30 50 CFEA CC1(C)OB(c2ccc3c(c2)C(=O)C2CC3C2)OC1(C)C 1875389822 OGXYTTAMDCBYQC-UHFFFAOYSA-N 284.164 2.676 30 50 CFEA C=CCC1(CC=C)CCCCN1C(=O)CCOC 65429019 AFRSMHFGJGATHG-UHFFFAOYSA-N 251.370 2.926 30 50 CFEA Cc1csc(-c2cc(-c3cc[nH]c3)nc(N)c2C#N)n1 71405585 CGJSJLPQTPIOQF-UHFFFAOYSA-N 281.344 2.963 30 50 CFEA Cc1nc(C)c(/C(O)=N/C[C@@H]2CCn3ccnc3C2)s1 328638823 WNPCHWVMIQLNPD-LLVKDONJSA-N 290.392 2.524 30 50 CFEA N#Cc1ccc(NC[C@H](O)c2ccc(Cl)c(F)c2)cn1 170057314 SCZDHPOZHLZWRU-AWEZNQCLSA-N 291.713 2.891 30 50 CFEA Fc1ccccc1/C=N/n1c(S)nnc1-c1ccncc1 1237103 QHDJHMWYSBMKJK-RQZCQDPDSA-N 299.334 2.650 30 50 CFEA C[C@@](O)(C#C[C@](C)(O)c1ccccc1)c1ccccc1 12364785 HJVVXZWQDRNQEH-HDICACEKSA-N 266.340 2.805 30 50 CFEA C=CCNS(=O)(=O)c1cc(C(C)(C)C)ccc1OCC 16651738 ZBNCBIJYBIBOEJ-UHFFFAOYSA-N 297.420 2.847 30 50 CFEA C#CC1(OC[C@H](O)CN2CCCCCC2)CCCCC1 12342636 ZHZKSQGMGXSSMR-MRXNPFEDSA-N 279.424 2.576 30 50 CFEA CC#CC(=O)N[C@H]1CCC[C@@H]1CCc1ccccc1 1875379454 QOIWVLXIZOWQBT-CVEARBPZSA-N 255.361 2.927 30 50 CFEA O=C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 103545649 YUMDTEARLZOACP-UHFFFAOYSA-N 278.045 2.746 30 50 CFEA COc1ccc(-c2cccc(C#N)n2)c(OC)c1OC 67691254 QCMPSDLIBXZFPW-UHFFFAOYSA-N 270.288 2.646 30 50 CFEA C=CCC1(N)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1536221773 BVVSGKZXURVDPZ-ODOQXGPZSA-N 266.385 2.822 30 50 CFEA CC[C@@H](CC(F)(F)F)/N=C(/O)c1cnns1 330827956 SUIKNXDNWMBXJL-YFKPBYRVSA-N 253.249 2.574 30 50 CFEA CC[C@H]1CN(c2nc(C(C)C)ccc2C#N)CCO1 670462965 VAQMVYHOEBDLTM-ZDUSSCGKSA-N 259.353 2.692 30 50 CFEA C[C@H]1C[C@@H](C)CN(CCCNc2ccc(C#N)nc2)C1 301540278 VGAQDACTVBFILO-OKILXGFUSA-N 272.396 2.733 30 50 CFEA N#Cc1ccc(F)c(CN2CCC[C@H]2c2ccc(O)nn2)c1 599640507 HHRMUOYUKNZRLM-HNNXBMFYSA-N 298.321 2.530 30 50 CFEA CCOc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1 298089 YWFALNDSTQGAOF-WOJGMQOQSA-N 294.310 2.715 30 50 CFEA C=CCN1CCN(Cc2ccc(SC)cc2)CCC1=O 12098739 CUOZIDQRHYLJCF-UHFFFAOYSA-N 290.432 2.629 30 50 CFEA CC(C)(C)OC(=O)N1CCC2(CC=CC2=O)CC1 584640407 CFRYEMWMRYFMDE-UHFFFAOYSA-N 251.326 2.533 30 50 CFEA COCCCNc1oc(-c2ccc(F)cc2)nc1C#N 2196382 KEDZFTOKMRBMOK-UHFFFAOYSA-N 275.283 2.801 30 50 CFEA C=CCc1cc(C)ccc1OCCNCCCOC 3460903 NTCBFRAOTVQEAI-UHFFFAOYSA-N 263.381 2.728 30 50 CFEA C=C(C)COc1ccccc1CN[C@@H](C)c1nncn1C 55387010 AEUFWOVVHUTJRG-ZDUSSCGKSA-N 286.379 2.621 30 50 CFEA C=C[C@H](O)C#CC#C[C@@H](O)/C=C/CCCCCCC 2008885 QWCNQXNAFCBLLV-ONPHEMOESA-N 260.377 2.818 30 50 CFEA biogenic,in-vitro Cc1nn(C)c(C(=O)Nc2ccc(CC#N)cc2)c1Cl 4772057 BBIDUHRISMLTBI-UHFFFAOYSA-N 288.738 2.700 30 50 CFEA N#CCC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl 334843729 XXCAGAOTFQZSTJ-SNVBAGLBSA-N 280.730 2.926 30 50 CFEA N#CCCN(CCC#N)C(=O)c1ccc2ccccc2c1O 173064826 JDCJQXHHMDYPCC-UHFFFAOYSA-N 293.326 2.815 30 50 CFEA CC1(C)OB(c2ccccc2OC2CC2)OC1(C)C 169994570 ZEFGLJQMSLJQLU-UHFFFAOYSA-N 260.142 2.527 30 50 CFEA in-vitro C=CCCC(=O)N1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 170611775 VIVPNWJHARPWNU-GJZGRUSLSA-N 287.359 2.858 30 50 CFEA CC1(C)OB(c2ccc(C#N)c(C(F)(F)F)c2)OC1(C)C 202368727 JSUSIUYMBXTBLI-UHFFFAOYSA-N 297.085 2.876 30 50 CFEA C/C(=N\Nc1nc(C)cc(C)n1)c1ccccc1O 5091151 ZSHIKKBLHJKDSJ-GZTJUZNOSA-N 256.309 2.635 30 50 CFEA C#CC(C)(C)N1CC[C@@](O)(c2ccccc2)[C@H](C)C1 15188347 VLPZXHXIPQDJKJ-PBHICJAKSA-N 257.377 2.628 30 50 CFEA CCOc1cc(C#N)ccc1OC[C@@H]1C[N@]1CC(C)C 1875382077 PVGSBWKTZAVZLG-KSSFIOAISA-N 274.364 2.676 30 50 CFEA C=CCN1CCN(C(=O)c2csc(CCC)c2)CC1 55060416 DZCSWIIVGABIKN-UHFFFAOYSA-N 278.421 2.644 30 50 CFEA Cc1cscc1N/C(O)=N/C[C@H]1CCn2ccnc2C1 328615399 AVOFTHYQKITWNO-NSHDSACASA-N 290.392 2.842 30 50 CFEA CCC[C@@H]1C[C@@H]1N/C(O)=N/C[C@H]1CCO[C@@H]1C(C)C 328623411 JCFQPGDXEQTWFV-YIYPIFLZSA-N 268.401 2.740 30 50 CFEA C[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1O 299900187 NFRPMXFSGDXSSN-TVQRCGJNSA-N 284.281 2.784 30 50 CFEA C(#CC12CC3CC(CC(C3)C1)C2)CN1CCOCC1 19781552 FNLGSMGENJHGNQ-UHFFFAOYSA-N 259.393 2.538 30 50 CFEA C=CCn1c(S)nc2ccc(Br)cc2c1=O 424969 LYEDNGYQMWGSPN-UHFFFAOYSA-N 297.177 2.634 30 50 CFEA N#Cc1cc(Cl)ccc1N1CC[C@@](O)(C2CC2)C1 336095048 DUBKMVUIUAYEBX-AWEZNQCLSA-N 262.740 2.563 30 50 CFEA COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1 43178454 AJRGHIGYPXNABY-UHFFFAOYSA-N 296.326 2.817 30 50 CFEA in-vivo Cc1cccc(/N=C2\C(=O)N(CO)c3ccccc32)c1C 670428548 VDKAZOKENNWSKG-VLGSPTGOSA-N 280.327 2.721 30 50 CFEA N#Cc1ccc(N2CCC(c3ccc(O)cc3)CC2)nc1N 573507048 YZDTXCWMQSJBDF-UHFFFAOYSA-N 294.358 2.625 30 50 CFEA O=C1Nc2ccc(F)cc2/C1=C1\Nc2ccccc2\C1=N\O 100061229 RJIBTAMXAXHIAN-HAGPRARUSA-N 295.273 2.793 30 50 CFEA in-vitro COc1ccc(C(=O)/C=C/c2cccnc2)c(OC)c1 4991857 YHFCLIMDBQXWFA-VMPITWQZSA-N 269.300 2.995 30 50 CFEA CN(Cc1cc(F)ccc1C#N)C[C@H]1CCc2nccn2C1 328621149 AIHPRDFCRYBVTM-CYBMUJFWSA-N 298.365 2.588 30 50 CFEA C=CCNC(=O)Nc1nnc(-c2ccc(OC)cc2)s1 130809017 ZLEBRBAFOAOESG-UHFFFAOYSA-N 290.348 2.521 30 50 CFEA N#Cc1cc(CNC(=O)OCC2CCCCC2)ccn1 1434665588 YQQSMQHKWPWXCH-UHFFFAOYSA-N 273.336 2.760 30 50 CFEA CC(C)CC(=O)N1CCC(CN(C)[C@@H](C)CC#N)CC1 170597307 QNSXZHOUMCVZAX-AWEZNQCLSA-N 279.428 2.505 30 50 CFEA Cc1c(Cl)cnc(N2CCC[C@H]2c2cc[nH]n2)c1C#N 376383788 KTFGNKTUEVUGSD-ZDUSSCGKSA-N 287.754 2.980 30 50 CFEA CCc1nc(C)cn2cc(B3OC(C)(C)C(C)(C)O3)cc12 1775955100 RJAWFOAJFYZUTH-UHFFFAOYSA-N 286.184 2.504 30 50 CFEA CCC(C#CCN1CCCCC1)(CC)OC(C)=O 208611 ADBMCMYNEQAAJV-UHFFFAOYSA-N 251.370 2.598 30 50 CFEA CC(=O)C1=C(NC(=O)c2ccccc2)C[C@@H]2[C@H]1C2(C)C 2099957 YQMYUMRTQGFQSG-IUODEOHRSA-N 269.344 2.935 30 50 CFEA biogenic C(=N\Nc1nc2ccccc2[nH]1)\c1ccc2c(c1)OCO2 32606181 VUKGDSKOYREWIK-PXNMLYILSA-N 280.287 2.738 30 50 CFEA CN(Cc1ccccc1C#N)C[C@@H]1CC(=O)N(C(C)(C)C)C1 215476575 ZRAYGNWTUDMANS-AWEZNQCLSA-N 299.418 2.637 30 50 CFEA CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(c2snc(Cl)c2C#N)[C@H]31 242038570 VMFIUTPDQTVPFO-MZFCOBPBSA-N 295.795 2.528 30 50 CFEA CC(=O)n1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 199595878 ANGZFMINUBBAGY-UHFFFAOYSA-N 285.152 2.601 30 50 CFEA COc1cc(OC[C@H](O)c2ccccc2)ccc1C#N 193766953 CGSDHPMLRCBACC-HNNXBMFYSA-N 269.300 2.679 30 50 CFEA Cc1cc(CNc2nccnc2C#N)ccc1Cl 302121706 GMAGOQOKQHSSCP-UHFFFAOYSA-N 258.712 2.922 30 50 CFEA O=C(/C=C\c1ccccc1[N+](=O)[O-])c1cccnc1 4566924 OECUXJADQAJQRH-FPLPWBNLSA-N 254.245 2.886 30 50 CFEA CCc1nnc(C[C@@H]2CC[C@H](Nc3ccc(C#N)nc3)C2)o1 1775957690 IKJICFUGVCBYER-NEPJUHHUSA-N 297.362 2.722 30 50 CFEA Cc1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 306507663 YQIMOKBQRRUNNS-UHFFFAOYSA-N 252.550 2.948 30 50 CFEA CC(C)[C@@H]1N/C(=N/Cc2ccccc2)N[C@@H]1C(F)(F)F 1775993220 CWBKUOMPCAIDNX-RYUDHWBXSA-N 285.313 2.691 30 50 CFEA CCS[C@@H]1CCC[C@H]1NC[C@H](O)c1ccc(C#N)cc1 253393855 ZRNJTVBNDVYZIX-OWCLPIDISA-N 290.432 2.855 30 50 CFEA N#Cc1ccc2ncc(-c3cccc4c3CCN4)n2c1 2325825949 IXFJAJLGHGGPNQ-UHFFFAOYSA-N 260.300 2.841 30 50 CFEA COc1cc(CN=c2cc(C)c(C#N)c(C)[nH]2)cc(OC)c1 2356149102 KAHHNSKNCBOTQT-UHFFFAOYSA-N 297.358 2.621 30 50 CFEA COc1ccnc(CN[C@@H](C)c2ccc(C#N)cc2)c1OC 225577932 UXDRDPLQTSHOKJ-LBPRGKRZSA-N 297.358 2.821 30 50 CFEA O=C(/C=C/c1ccco1)C1C(=O)c2ccccc2C1=O 100370916 KDHIKSJDTLPCPE-BQYQJAHWSA-N 266.252 2.557 30 50 CFEA biogenic Cc1cc(N2CCC[C@H]2[C@H]2CCCOC2)ncc1C#N 1363730967 PTLHVJVEYGSWLY-ZFWWWQNUSA-N 271.364 2.657 30 50 CFEA CCOC(=O)[C@H](B1OC(C)(C)C(C)(C)O1)C(C)C 170006945 MSYJIEUSBKFHHM-SNVBAGLBSA-N 256.151 2.668 30 50 CFEA CO/N=C/CC(=O)c1ccc(Br)cc1 4051461 GILGIZKIGWEADG-KPKJPENVSA-N 256.099 2.654 30 50 CFEA CCOC(=O)[C@@H](Cc1ccccc1)/N=C(\C)OCC 44125287 UIIXLOBHTBGESY-RGHBXIHOSA-N 263.337 2.616 30 50 CFEA N#C[C@H]1CCCN(C(=O)NCCCCc2ccccc2)C1 426618101 JECDQRAXLVOMQD-MRXNPFEDSA-N 285.391 2.954 30 50 CFEA Cc1oc(C#N)cc1C(=O)Nc1ccnn1[C@@H](C)C1CC1 619550453 DSKAFLKUIBFDAY-VIFPVBQESA-N 284.319 2.880 30 50 CFEA CCc1nn(C)c(NC(=O)c2cc(F)cc(C#N)c2)c1C 1506398370 PLPPNHZNLFICSU-UHFFFAOYSA-N 286.310 2.554 30 50 CFEA CCCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 169969041 CSUZZDNBWJNSIS-UHFFFAOYSA-N 277.173 2.560 30 50 CFEA C=CCSc1nnc([C@@H](C)NC(=O)OC(C)(C)C)o1 8844282 ZLNKNUISMHYDJP-MRVPVSSYSA-N 285.369 2.933 30 50 CFEA COc1ccc(/C=[N+](\[O-])Cc2ccccc2)cc1[N+](=O)[O-] 2519735 KZSRDEYLRPYUQL-WJDWOHSUSA-N 286.287 2.733 30 50 CFEA CCS[C@@H]1CCC[C@H]1NC[C@@H](O)c1ccc(C#N)cc1 233842862 ZRNJTVBNDVYZIX-BZUAXINKSA-N 290.432 2.855 30 50 CFEA CN(/N=C1\C(=O)N(C)c2ccccc21)c1ccccc1 4718812 YEOUWTZTOBNTCU-ICFOKQHNSA-N 265.316 2.504 30 50 CFEA C=CCN(Cc1ccccc1C)C(=O)[C@@H]1CCOC1 55042148 PUBIBIIOONLIIO-OAHLLOKOSA-N 259.349 2.546 30 50 CFEA CCCNc1ncc(-c2cc(C(C)C)nc(N)c2C#N)cn1 67742627 FVIZLVJPFXJLGK-UHFFFAOYSA-N 296.378 2.938 30 50 CFEA C=CCOc1ccccc1CN1CCCC[C@@H]1CO 23281683 HNHVFEIIQDBLCW-OAHLLOKOSA-N 261.365 2.598 30 50 CFEA O=C1NC2=C(C(=O)c3ccccc32)[C@H](c2ccccc2)N1 103436 ISEKSXKHQRZFJA-AWEZNQCLSA-N 276.295 2.648 30 50 CFEA aggregator,biogenic Cc1c(NC(O)=Nc2cnc3c(c2)CCCC3)cnn1C 329490676 YVVNLJOTOCDCIO-UHFFFAOYSA-N 285.351 2.660 30 50 CFEA Cc1cc(/C(O)=N/[C@H](Cc2ccccc2)C(=O)O)c(C)o1 82138162 QUAPVNIKMOMEAG-CQSZACIVSA-N 287.315 2.897 30 50 CFEA biogenic,in-vitro CCCCn1nnc2cc(C#N)cc(Br)c21 95496094 YXGPMDMOJQOCRZ-UHFFFAOYSA-N 279.141 2.866 30 50 CFEA N#Cc1ccc(NC(=O)NCC2=CCCCC2)cn1 299787003 YQFWIWVTURSJKK-UHFFFAOYSA-N 256.309 2.575 30 50 CFEA CCC[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CCO1 270221086 GTRUPPDEVFYZBD-LLVKDONJSA-N 299.296 2.977 30 50 CFEA COc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1C 169746472 FJEBIFLEIUSKJT-UHFFFAOYSA-N 262.158 2.611 30 50 CFEA in-vitro N#C[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)s1 598091320 BXRQIYYYOOEXSI-RKDXNWHRSA-N 252.314 2.699 30 50 CFEA Cc1nn([C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1C#N 239654169 BMUHBDDVGHGWHY-SECBINFHSA-N 290.273 2.541 30 50 CFEA C#CCCC1(CCC(=O)N2CC[C@@H]3CCC[C@H]32)N=N1 952880446 BEUOCEPISKIDKN-QWHCGFSZSA-N 259.353 2.743 30 50 CFEA COC[C@@H]1CCCN(C(=O)c2c[nH]c3cccc(C#N)c23)C1 952884430 DURLVFJGOWPTMO-GFCCVEGCSA-N 297.358 2.538 30 50 CFEA O=C(N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)[C@@H]1CO1 1875373108 UDUFNOXZJNABFH-XQQFMLRXSA-N 299.292 2.857 30 50 CFEA Cc1ccc(C#N)c(N2CCO[C@@H](c3cccs3)C2)n1 161850637 OJWMOPNKVZTQBP-CYBMUJFWSA-N 285.372 2.901 30 50 CFEA Cc1ccc(OCC(=O)Nc2ccccc2C#N)cc1 68975 OINLRPQHEINQFG-UHFFFAOYSA-N 266.300 2.884 30 50 CFEA CCN(CC)CC#C[C@](C)(OC(C)=O)c1ccccc1 2491023 CCFRXWGHKFAWDK-KRWDZBQOSA-N 273.376 2.810 30 50 CFEA Cc1c(C#N)c(=O)oc2ccc(Br)cc12 57986 NPCFOYALAZMRDI-UHFFFAOYSA-N 264.078 2.736 30 50 CFEA biogenic CN(CC[C@@H]1CCCCO1)Cc1ccc(C#N)cc1 215253592 GNDXXUJMTNUJAH-INIZCTEOSA-N 258.365 2.949 30 50 CFEA C=CC[C@@H](C(=O)N[C@@H]1CCn2nccc2C1)c1ccccc1 1615606447 YLWYNBUGMHFPAD-NVXWUHKLSA-N 295.386 2.674 30 50 CFEA CC(C)C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 390474 KFGDFVXTGSJKQM-UHFFFAOYSA-N 259.349 2.876 30 50 CFEA Cc1cc(C)c(C(=O)ON=C2C=CC(=O)C=C2)c(C)c1 457627 LWDFCSZYOPXHFE-UHFFFAOYSA-N 269.300 2.820 30 50 CFEA O=C1C[N+]([O-])=Cc2[nH]c3ccccc3c2N1c1ccccc1 1814431 NARZIERVXDFWJE-UHFFFAOYSA-N 291.310 2.775 30 50 CFEA biogenic CN(CC(=O)[C@@H](C#N)c1ccccc1)Cc1ccccc1 54649315 YNOGELFAGWINTN-KRWDZBQOSA-N 278.355 2.995 30 50 CFEA Cn1cc(C/N=C(/O)[C@@H]2C[C@@]23CCOc2ccccc23)cn1 329707158 KJEBLPISOPLOLY-WMLDXEAASA-N 297.358 2.617 30 50 CFEA N=C(O)[C@@H]1CCC[C@H](/C(O)=N/[C@@H]2CCO[C@H]2C2CC2)C1 329874373 FOUWZYIGNYUQAA-XQHKEYJVSA-N 280.368 2.852 30 50 CFEA N#CCSCC(=O)Nc1ccc(F)cc1-n1cccc1 253420253 VGNXBWILVJAMHE-UHFFFAOYSA-N 289.335 2.812 30 50 CFEA N#Cc1ccc(N2CCC[C@@H]2c2ccc(N)nn2)cc1Cl 886086735 ZKMWBBYDJYLXMU-CQSZACIVSA-N 299.765 2.925 30 50 CFEA CCCN(OC(=O)Nc1ccccc1)C(=O)OC 1514927 XHWVASQDFNECDX-UHFFFAOYSA-N 252.270 2.629 30 50 CFEA Cc1ccc(NC(=O)C[n+]2cc3ccccc3cn2)c(C)c1 2519844 HNHCRYNMLDFHTP-UHFFFAOYSA-O 292.362 2.778 30 50 CFEA O=C(C[n+]1ccccc1)OCC12CC3CC(CC(C3)C1)C2 4714712 PNHPCVAFKKQEDN-UHFFFAOYSA-N 286.395 2.734 30 50 CFEA N#CCCN(Cc1ccccc1)C(=O)c1ccco1 36563279 GSQLSTSJEVZKPS-UHFFFAOYSA-N 254.289 2.836 30 50 CFEA CCN(CC)CC(=O)Nc1sc2c(c1C#N)CCCC2 208789 FANNPDLSLGYZEO-UHFFFAOYSA-N 291.420 2.779 30 50 CFEA biogenic CCn1cc(/C=C/C(=O)c2cn(CC)nc2C)c(C)n1 4651978 YDPIXINXHYABNW-BQYQJAHWSA-N 272.352 2.632 30 50 CFEA C=CC[C@]1(CO)CCCN(Cc2n[nH]c(C)c2Cl)C1 91677407 PZGJADIDZHBFQK-AWEZNQCLSA-N 283.803 2.522 30 50 CFEA CN(Cc1c[nH]c(C#N)c1)[C@@H](c1ccccn1)C1CC1 952984907 CHAAIPANIUXBCR-MRXNPFEDSA-N 266.348 2.864 30 50 CFEA COCCCNc1oc(-c2ccccc2C)nc1C#N 2365716 NAEFQMQBJWACBK-UHFFFAOYSA-N 271.320 2.970 30 50 CFEA C[C@@H](C#N)CN[C@H]1CC[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 1365567329 CLAQMLLVLQHHSJ-XUXIUFHCSA-N 293.411 2.524 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N1CCc2ccc(OC)nc21 411041673 CCUYVUHSHRRXPV-LLVKDONJSA-N 260.337 2.582 30 50 CFEA CN(C)c1ccc(/C=C2\C(=O)Oc3ccccc3C2=O)cc1 13861871 YONBJHAHXCAHFB-PTNGSMBKSA-N 293.322 2.938 30 50 CFEA CC(=O)/C(=N\Nc1ccccc1)C(=O)c1ccccc1 18052319 UNFWQLATTXYQJR-OBGWFSINSA-N 266.300 2.926 30 50 CFEA Cc1cnn([C@@H]2CCCN(c3nc(C)ccc3C#N)C2)c1 161298525 BPQLWRQHLILMFG-OAHLLOKOSA-N 281.363 2.608 30 50 CFEA CCc1nc(C)c(C#N)c2cc(OC)c(OC)cc12 280969 INUQHBYKWAHONZ-UHFFFAOYSA-N 256.305 2.995 30 50 CFEA Cc1cc(N2CCN[C@@H](c3ccccc3)C2)nc(C)c1C#N 2356147896 WQVOKBRNHURPOM-QGZVFWFLSA-N 292.386 2.721 30 50 CFEA Cc1n[nH]c(C)c1-c1c(C#N)c(N)nc2c1[C@@H]1CC[C@H]2C1 71749723 PXAUAOPEHLWVHD-ZJUUUORDSA-N 279.347 2.907 30 50 CFEA CC1(C)OB(c2ccc(F)c(OC(F)F)c2)OC1(C)C 228092245 WRIFJXGMZKAANY-UHFFFAOYSA-N 288.074 2.726 30 50 CFEA Cc1ccc(C#N)c(NCCc2nc3cc(F)ccc3[nH]2)n1 161712333 BBOBBUVFWPVNDY-UHFFFAOYSA-N 295.321 2.932 30 50 CFEA Cc1ccsc1C=NN1CCN(c2ccccn2)CC1 238936970 SQKDNYFKHLGFCS-UHFFFAOYSA-N 286.404 2.608 30 50 CFEA CC[C@H](C#N)C(=O)N[C@@H]1c2ccccc2CC[C@H]1C 585090462 PKGVCTGVFZCJGV-JMSVASOKSA-N 256.349 2.976 30 50 CFEA C[C@@H](C#N)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 222274800 LHODGJJDTNAYBO-WDEREUQCSA-N 279.409 2.726 30 50 CFEA CCc1c(C)c(OC[C@@H]2CO2)cc(C)c1OC(C)=O 5667052 AKBHGUUFYDPRRW-LBPRGKRZSA-N 264.321 2.569 30 50 CFEA CCOc1cc(/C=N/O)cc(Br)c1OC 15990461 SSOXZKVJUYDXND-WUXMJOGZSA-N 274.114 2.665 30 50 CFEA Cc1cccc([C@H](C)/N=C(/O)N(C)Cc2nc[nH]n2)c1C 331359008 VXKQLVVNMQMSTN-LBPRGKRZSA-N 287.367 2.529 30 50 CFEA CCOCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 1857785186 TZNULCLBDBFYCP-UHFFFAOYSA-N 268.187 2.584 30 50 CFEA CC#CC(=O)N[C@H](C)Cc1ccc2c(c1)CCC(C)(C)O2 1875377219 VYWLVJJZAROTMR-CYBMUJFWSA-N 285.387 2.861 30 50 CFEA Cc1cc(C)n([C@@H]2CCN(c3cc(C)c(C#N)c(C)n3)C2)n1 2356148390 UCSYCGBESYDMPZ-OAHLLOKOSA-N 295.390 2.835 30 50 CFEA Cc1ncc(C(O)=Nc2c(C)noc2C2CC2)c(C)n1 329846294 YDYWIEKRIZLRGO-UHFFFAOYSA-N 272.308 2.904 30 50 CFEA Cc1cc(Br)cc(C(=O)NC2(C#N)CC2)c1 152827478 NYQPVGTVFGQCMH-UHFFFAOYSA-N 279.137 2.544 30 50 CFEA COc1ccc(/C=N/NC(=S)c2ccccc2)c(O)c1 670423624 FEOBDLHCSRHUOA-MHWRWJLKSA-N 286.356 2.700 30 50 CFEA N#Cc1cncc(NC2CCN(CC3=CCCCC3)CC2)n1 1616038228 YSPHQZNROCEJQQ-UHFFFAOYSA-N 297.406 2.725 30 50 CFEA CC#CC(=O)N[C@H](c1ccc(F)c(C#N)c1)C(C)C 1875379812 XOWODYJQOXVBNY-HNNXBMFYSA-N 258.296 2.534 30 50 CFEA Cc1n[nH]c(=S)n1/N=C/c1c(O)ccc2ccccc12 5730842 LYUPTNYKJLOAKU-OVCLIPMQSA-N 284.344 2.990 30 50 CFEA CC1(C)[C@@H]2C[C@@H]1C[C@H]1OB([C@H](N)Cc3ccccc3)O[C@@]21C 207094190 VBPSRSJQIVBEOE-DXWTWGPWSA-N 299.223 2.824 30 50 CFEA COc1cccc(/C(N)=N/OC(=O)c2ccc(C)cc2C)c1 4723541 RUTCPYMDDVXBFF-UHFFFAOYSA-N 298.342 2.789 30 50 CFEA C[C@H](Sc1ncccc1C#N)C(=O)Nc1nccs1 10007796 NLLIQXNFFRZVEV-QMMMGPOBSA-N 290.373 2.529 30 50 CFEA CCN1C=CC=C/C1=C/C=C1/C=C([N+](=O)[O-])C=CC1=O 36151291 KIZSDPQIEIQZGK-QXFGSWAMSA-N 270.288 2.502 30 50 CFEA O=C(O)CON=C(c1ccccc1)c1ccccc1 34412735 ROFHZGKAEBWPCO-UHFFFAOYSA-N 255.273 2.540 30 50 CFEA COC(=O)CC/C(C)=C/B1OC(C)(C)C(C)(C)O1 2325903872 IVQNFSWTYIMTSY-MDZDMXLPSA-N 254.135 2.517 30 50 CFEA C=CCN(CC=C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 283384 JXQDYUZJQYYKDK-CMDGGOBGSA-N 272.304 2.809 30 50 CFEA COc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2O)c1O 3091526 TZTUTEKFAVFMCJ-OVCLIPMQSA-N 288.259 2.765 30 50 CFEA CN1C(=O)CS/C1=N/CC12CC3CC(CC(C3)C1)C2 13468365 UIHQGGFJFJXYTH-JQIJEIRASA-N 278.421 2.764 30 50 CFEA C[C@@H]1CC[C@H]2CNC(=NCC3CC4(C3)CC43CC3)N2C1 2325864112 HCFIKYRGLMEPAU-ZBUZPQQSSA-N 273.424 2.626 30 50 CFEA C=CCN(Cc1ccc(F)cc1)Cc1nccn1C 55042125 IDHNDZYJEPTECM-UHFFFAOYSA-N 259.328 2.747 30 50 CFEA O=C1/C(=C2/Nc3ccccc3C2=O)Nc2ccccc21 100513617 COHYTHOBJLSHDF-YPKPFQOOSA-N 262.268 2.815 30 50 CFEA aggregator,biogenic,in-vitro C#C[C@@](C)(CC)NC(=O)Cc1csc(-c2ccccn2)n1 408522059 CJVSMUBSKPJIET-INIZCTEOSA-N 299.399 2.666 30 50 CFEA CC(C)(C)c1n[nH]c(=S)n(/N=C/c2cccs2)c1=O 1249338 GRKPTAZFUDXPFM-NTUHNPAUSA-N 294.405 2.542 30 50 CFEA C=CCNC[C@H](O)Cn1c2ccccc2c2ccccc21 1775969929 SCOWNTKTXMCFAY-AWEZNQCLSA-N 280.371 2.931 30 50 CFEA C[C@]1(C/N=C(/O)c2ncccc2C(F)(F)F)CCOC1 330647003 UYMJGMOFXLEHRT-GFCCVEGCSA-N 288.269 2.832 30 50 CFEA C#CCOc1cccc([C@@H](C)N[C@@H]2CCc3c[nH]nc3C2)c1 1775984820 KFLFPORGEOPEBZ-CZUORRHYSA-N 295.386 2.630 30 50 CFEA CNc1oc([C@H]2C[C@H]2c2ccc(OC)cc2)nc1C#N 1857799349 XYQPLGCLWCYFSJ-RYUDHWBXSA-N 269.304 2.868 30 50 CFEA S=C(NCc1ccccc1)N/N=C/c1cccs1 459754 HLELKYXLZHJXFY-XNTDXEJSSA-N 275.402 2.746 30 50 CFEA N#Cc1cn(CC(=O)NCc2cccs2)c2ccccc12 555419 CVQKWHHPWCYOOO-UHFFFAOYSA-N 295.367 2.891 30 50 CFEA N#Cc1c(N)c(C(=O)c2ccccc2)n2ccccc12 6663980 CYDGAAPSTIKZSV-UHFFFAOYSA-N 261.284 2.624 30 50 CFEA CCCCCCCCCCCCN[C@@H]1CC(=O)NC1=O 100650648 VZKXXPZNDNHJAJ-CQSZACIVSA-N 282.428 2.912 30 50 CFEA CC1(C)OB(c2ccc(C3CCOCC3)cc2)OC1(C)C 170009437 DMLXOYKSKYTGKQ-UHFFFAOYSA-N 288.196 2.880 30 50 CFEA Cc1ccc(S(=O)(=O)O[C@H]2C[C@H]3C=C[C@H]2C3)cc1 101051203 KJXWUOSFKJBGMD-OBJOEFQTSA-N 264.346 2.665 30 50 CFEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1CC(=O)N(C)C 1529167825 QXFKZXZZBPEKSH-GJZGRUSLSA-N 262.397 2.616 30 50 CFEA CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)[C@H]1CO1 12351572 QBDJHEUSBYIOGK-UONOGXRCSA-N 277.364 2.911 30 50 CFEA C[C@@H](/N=C(\NC#N)Nc1ccc(C#N)cc1)C(C)(C)C 3935230 PGYDRGZVXVVZQC-LLVKDONJSA-N 269.352 2.831 30 50 CFEA in-man Cc1cc(C)nc(/N=C(/N)Nc2cccc(Cl)c2)n1 4008836 FPVMOLBHYYLCCE-UHFFFAOYSA-N 275.743 2.805 30 50 CFEA Cc1ccc([C@@H](CNc2oc(C)nc2C#N)N(C)C)cc1 28251189 ZISVYYYRLQUZLR-OAHLLOKOSA-N 284.363 2.878 30 50 CFEA C=CC[C@]1(C=O)CCCCN1C(=O)OC(C)(C)C 316588537 FDEKSSLYBZXPOM-CQSZACIVSA-N 253.342 2.921 30 50 CFEA CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccoc1)c1ccccc1 191820831 KGRCIRULSQSBSV-HUUCEWRRSA-N 296.326 2.870 30 50 CFEA C=C[C@@H](n1cncn1)C(O)(c1ccccc1)c1ccccc1 5283230 DPPGMVHXXRQNNI-QGZVFWFLSA-N 291.354 2.941 30 50 CFEA Cc1cc(C)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(=O)[nH]1 13556787 UUJYHBSJIHQNEH-HWKANZROSA-N 297.310 2.617 30 50 CFEA C[C@H](NC(=O)N1CCC(C#N)CC1)c1ccsc1 534578527 OSEVOVMYLLRTKH-JTQLQIEISA-N 263.366 2.754 30 50 CFEA COc1cccc2c1C(=O)C1=C(C[C@H](C)O[C@H]1C)C2=O 6469029 IAJIIJBMBCZPSW-IUCAKERBSA-N 272.300 2.568 30 50 CFEA Cc1ccc(S(=O)(=O)OCCOc2ccccc2)cc1 2171155 MSIGTXLXMVOOQD-UHFFFAOYSA-N 292.356 2.779 30 50 CFEA CN[C@]1(c2ccccc2)OC2=C(C(=O)CC(C)(C)C2)N1C 105230231 UDFZZBGQGLJSFG-KRWDZBQOSA-N 286.375 2.579 30 50 CFEA O=C1COc2ccc(C(=O)/C=C/c3ccccc3)cc2N1 4648785 IIWMHLDFNYUVNR-SOFGYWHQSA-N 279.295 2.914 30 50 CFEA CN(C)c1cc(N=C(O)[C@H]2CCCOCC2)ccn1 330129394 JYTKMIBDPSYMQP-NSHDSACASA-N 263.341 2.552 30 50 CFEA CC#CC(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1 283225848 OKWDWLFZQAEGRZ-YGRLFVJLSA-N 265.740 2.556 30 50 CFEA C[C@@H]1OB(c2ccccc2)O[C@@H](C)C1c1ccccc1 196074775 DPXZSTGHDSUTMC-KBPBESRZSA-N 266.149 2.989 30 50 CFEA CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3)O[C@H]2C1 242543497 KCNPMWOOFGBZDW-BBRMVZONSA-N 275.348 2.922 30 50 CFEA N#Cc1ccccc1OCCO[C@H]1CCCc2c[nH]nc21 190168065 KKZSURMMCRTSEO-HNNXBMFYSA-N 283.331 2.754 30 50 CFEA C[C@H](/C(O)=N/C[C@H]1CCC2(CCCCC2)O1)n1cncn1 330137246 HWXXOUYFDOZEFP-CHWSQXEVSA-N 292.383 2.678 30 50 CFEA O=C1C=C(Nc2ccccc2O)C(=O)c2ccccc21 101448853 KYSBTGPZDQBHMH-UHFFFAOYSA-N 265.268 2.767 30 50 CFEA C=CCNC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 52410812 XEEIWUVXRFTZBA-SNVBAGLBSA-N 253.729 2.718 30 50 CFEA Cc1nc(O)c(C#N)c(C(F)(F)F)c1Br 22995905 LDROYAOVNZFOPG-UHFFFAOYSA-N 281.031 2.749 30 50 CFEA C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCS[C@@H]2CCCC[C@H]21 328588995 ZQHGCEPANFAJOQ-KBUPBQIOSA-N 295.448 2.854 30 50 CFEA C#CCN(Cc1ccnn1C)[C@H]1CCc2ccccc21 127545908 MBRJXDAYSNXRIL-KRWDZBQOSA-N 265.360 2.543 30 50 CFEA N#Cc1cc(Br)c(C(F)F)cc1C(=O)O 263624189 OENLPEMTQZCZAX-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA CC(C)(C)OC(=O)Nc1nccc(Cl)c1/C=N/O 100002203 JOGZHNYBXXWRCI-MKMNVTDBSA-N 271.704 2.890 30 50 CFEA in-vitro COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 169746615 MPAOYOWXKCYTSJ-UHFFFAOYSA-N 268.549 2.648 30 50 CFEA in-vitro C=C(C)C[C@H](C)C(=O)N[C@H](CC(=O)OCC)C(F)(F)F 585113576 AOLHAYIDLBLYHP-VHSXEESVSA-N 295.301 2.589 30 50 CFEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)Cn1ccnc1CC 216674899 GOCBOFPTCQIJIN-KBPBESRZSA-N 273.380 2.567 30 50 CFEA CC1(C)C/C(=N\O)[C@@H]([C@H](O)c2ccccc2)C(C)(C)N1 12384127 VGFIOZVWVYMGPY-CKWOQFDWSA-N 276.380 2.717 30 50 CFEA C[C@@H]1CN(C)C(=NCc2ccc3ccccc3c2)N1 2325771427 PVOZATPVSIKUIA-GFCCVEGCSA-N 253.349 2.619 30 50 CFEA CCN(CC)CC#C[C@@](O)(c1ccccc1)c1cccnc1 2478655 LDBOQFKCZNFXLN-LJQANCHMSA-N 294.398 2.663 30 50 CFEA Cc1nsc(Nc2ccc([N+](=O)[O-])cc2)c1C#N 4619563 WGOSQVWTSRIFNY-UHFFFAOYSA-N 260.278 2.975 30 50 CFEA N#C[C@H]1CCCN(C(=O)NCc2ccnc3ccccc23)C1 426509897 FNFILXZGKPLYAO-CYBMUJFWSA-N 294.358 2.680 30 50 CFEA Cc1c(B2OC(C)(C)C(C)(C)O2)cc(Cl)nc1Cl 198023501 DKKHFBMUYZBBJF-UHFFFAOYSA-N 287.983 2.996 30 50 CFEA N#Cc1ncn(CCc2cc(Cl)cc(Cl)c2)n1 194579646 WQCRICLBSIYNKQ-UHFFFAOYSA-N 267.119 2.699 30 50 CFEA C=CC[C@@H]1CCCN(C(=O)c2ccc(C(=O)O)cc2)C1 659170372 VGHVEXGZIHIOTI-GFCCVEGCSA-N 273.332 2.813 30 50 CFEA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C#N)cc1 453143 NLYPNIQQKAJYHP-LBPRGKRZSA-N 266.300 2.964 30 50 CFEA CC(C)(C)OC(=O)N1CC[C@](C=O)(C(C)(C)C)C1 1772717349 UZWMLQLGZATLRE-AWEZNQCLSA-N 255.358 2.859 30 50 CFEA COc1cc(NC(=O)N2CCC(C#N)CC2)ccc1C 96136704 LWHDIGRUCUBDLN-UHFFFAOYSA-N 273.336 2.771 30 50 CFEA C=C1[C@](O)(c2ccc(C)c(C)c2)C2CC[N+]1(C)CC2 403681 LTNJKVDNWYLFGC-IIIMJFFVSA-N 258.385 2.875 30 50 CFEA CC#CC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 283225844 OKWDWLFZQAEGRZ-IINYFYTJSA-N 265.740 2.556 30 50 CFEA O=C(O)[C@H](Cc1ccccc1)/N=C(\O)c1ccccc1 82060940 NPKISZUVEBESJI-AWEZNQCLSA-N 269.300 2.687 30 50 CFEA biogenic,in-vitro C[C@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CCS1 276962176 VTSRVRHZQCNPFL-JTQLQIEISA-N 277.349 2.798 30 50 CFEA Cc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c(O)c1 277791589 FVOPZKPMXRTQJK-AWEZNQCLSA-N 272.348 2.855 30 50 CFEA CCCCCCCCSCc1nc(N)nc(N)n1 190885451 ZHVRCTUMUJKEGZ-UHFFFAOYSA-N 269.418 2.630 30 50 CFEA N#CCn1c(C(=O)N2CC[C@H]3C[C@@H]3C2)cc2ccccc21 598331173 PRMKXNCODACEQG-GXTWGEPZSA-N 279.343 2.647 30 50 CFEA CCc1n[nH]c(=S)n1/N=C(\C)c1ccc(OC)cc1 5686821 NAGNSSSBTCHNEM-CXUHLZMHSA-N 276.365 2.784 30 50 CFEA N#Cc1cccnc1N(C(=O)N1CCCC1)C1CCCC1 1875316863 JVWYQYXGAHXKJJ-UHFFFAOYSA-N 284.363 2.918 30 50 CFEA N#C[C@H]1C[C@H](F)CN1C(=O)c1cc(Cl)ccc1F 1875370198 FSGDUGWVRSAZOI-DTWKUNHWSA-N 270.666 2.555 30 50 CFEA O=C(/C=C\Nc1ccccc1O)c1ccc2c(c1)OCO2 4905349 BYBORHQOABCBCJ-FPLPWBNLSA-N 283.283 2.929 30 50 CFEA COc1ccc(Oc2nccc(OC)c2C#N)cc1 1398093 NIPLMEDDKHWEJY-UHFFFAOYSA-N 256.261 2.763 30 50 CFEA C[C@@]12CCC[C@@](C)(O)C1=C[C@@]1(C)CCC(=O)[C@@H]3O[C@@]31C2 71786236 RLEDXHZPWUUWBG-SIRPWMCASA-N 276.376 2.765 30 50 CFEA CCC(=O)[C@@H]1CCCCN1C(=O)c1cccc(CC#N)c1 179437450 JBHCUBONIGLYHW-HNNXBMFYSA-N 284.359 2.726 30 50 CFEA N#CC1(c2ccccn2)CCN(Cc2ccc(F)cn2)CC1 554564683 OWJJWMMHMWANKO-UHFFFAOYSA-N 296.349 2.673 30 50 CFEA Oc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1 230016 XLKCAXYXWZYWBO-NBVRZTHBSA-N 281.359 2.548 30 50 CFEA Cc1ccccc1C[C@H]1S/C(=N/c2ccccn2)NC1=O 13634281 SWRIKFZATZDDQY-CYBMUJFWSA-N 297.383 2.852 30 50 CFEA CC(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 169746185 MRVKLPGHTKQJIT-UHFFFAOYSA-N 295.575 2.598 30 50 CFEA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1ccccc1 4529921 VAWATGWXNSYOHD-OWCLPIDISA-N 276.400 2.978 30 50 CFEA O=C(CCn1c2ccccc2c2ccccc21)NO 26442527 GXJRDAZEIZNCSL-UHFFFAOYSA-N 254.289 2.690 30 50 CFEA CC1(C)OB(CC(=O)c2ccc([N+](=O)[O-])cc2)OC1(C)C 170005884 ONNJYNKQIBMYQA-UHFFFAOYSA-N 291.112 2.870 30 50 CFEA CC(C)N(C)c1ccc(/C=C/C(=O)c2ccn(C)n2)cn1 585136065 ORAMSXDHHZNOOU-FNORWQNLSA-N 284.363 2.556 30 50 CFEA Fc1ccc(-c2nnc(S)n2/N=C/c2cccnc2)cc1 5997244 NPEKWGIMHQTVNI-RQZCQDPDSA-N 299.334 2.650 30 50 CFEA COC(=O)c1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1 12860406 WKCCLTCDMHZBDV-NVNXTCNLSA-N 296.278 2.795 30 50 CFEA biogenic N#Cc1c(Cl)nsc1NCC1(F)CCOCC1 1875269363 CPXAWZJTPWWMOQ-UHFFFAOYSA-N 275.736 2.599 30 50 CFEA C=CCSc1nnc2c(n1)O[C@H](C)Nc1ccccc1-2 2073785 UCOFSZWVQPYWID-SECBINFHSA-N 286.360 2.967 30 50 CFEA C#CCOc1c(Cl)cc(C=O)cc1Br 2597432 YUGPAFOCCFNZCL-UHFFFAOYSA-N 273.513 2.927 30 50 CFEA C=CCOc1ccc([C@H]2CC(=O)Nc3[nH]nc(C)c32)cc1 35171241 XJPHOZUEMJPJLK-CYBMUJFWSA-N 283.331 2.757 30 50 CFEA CC(C)[C@@H]1OCCC[C@@H]1CNc1ccc(C#N)nc1 267648648 LTUPEGNBJAUPHR-DOMZBBRYSA-N 259.353 2.816 30 50 CFEA C#Cc1cccc(NC(=O)Cc2ccc(OC)cc2)c1 454023 OOJYAMQBMMVSQK-UHFFFAOYSA-N 265.312 2.858 30 50 CFEA CCOC(=O)/C(=C/C=C/N(C)c1ccccc1)C(C)=O 3099529 PMLYUXFQALYJLE-HRVWGNOLSA-N 273.332 2.715 30 50 CFEA Cc1csc(NC(=O)CSCCCCC#N)n1 252481999 CWPLBOWHAOHLJK-UHFFFAOYSA-N 269.395 2.817 30 50 CFEA O=c1[nH]c(N/N=C/[C@H]2CC=CCC2)nnc1-c1ccccc1 12341101 SZOUZNXURNABKM-OOIIIRTPSA-N 295.346 2.586 30 50 CFEA C=CCC(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2)C1 14977021 UTRSIDASUSELCU-KRWDZBQOSA-N 291.366 2.545 30 50 CFEA C=CCn1c(=N)n(CC(=O)c2ccco2)c2ccccc21 19706417 HPKQPYCUSAZNLU-UHFFFAOYSA-N 281.315 2.584 30 50 CFEA Cn1c(/C=N/Nc2ccc(C(=O)O)cc2)nc2ccccc21 4599456 JHLFIHVCNGBQIZ-LICLKQGHSA-N 294.314 2.718 30 50 CFEA COc1ccc(/C=N/C[C@@H](O)c2ccccc2)cc1 244697 CAGMSXRZMNJGMT-PCJMVEANSA-N 255.317 2.848 30 50 CFEA biogenic,in-vitro C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)[C@H]1CO1 1875372606 JGYLOTFONGADNE-HIFRSBDPSA-N 279.767 2.662 30 50 CFEA C[C@H](NC(=O)[C@H]1CO1)c1ccc(-c2ccccc2)cc1 1875372708 LDKYNKPKNXGPCD-BLLLJJGKSA-N 267.328 2.930 30 50 CFEA CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C=O)C1 1775955611 KXAUKCQSYITOOZ-GFCCVEGCSA-N 261.321 2.720 30 50 CFEA C=CCc1ccccc1OC[C@H](O)CNCc1ccco1 2480297 IAFKVNDRMCIREP-OAHLLOKOSA-N 287.359 2.538 30 50 CFEA CCc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc1 4916455 UCWCBUDXJBXMHI-ZDUSSCGKSA-N 269.344 2.860 30 50 CFEA C#C[C@](C)(C=C)OC(=O)c1ccn(-c2ccccc2)n1 252495257 OORKDWQJRBUIMC-MRXNPFEDSA-N 266.300 2.607 30 50 CFEA Cc1cc2occ(/C(O)=N/[C@@H]3[C@H]4COC[C@H]43)c2cc1C 330109164 OUSJKEDZNGVFIV-JYAVWHMHSA-N 271.316 2.999 30 50 CFEA CC1(C)[C@@H]2C[C@@H]3OB(c4ccccc4)O[C@]3(C)[C@@H]1C2 232321917 OZQWJKOXOILFRR-ZGMNHVEMSA-N 256.154 2.622 30 50 CFEA CC1(C)OB(c2ccc(C(F)(F)F)c(C#N)c2)OC1(C)C 202385669 IUORZQUIVDCXJO-UHFFFAOYSA-N 297.085 2.876 30 50 CFEA in-vitro C/C(NC(=O)Cc1ccccc1)=C1/C(=O)C[C@@H]2[C@@H]1C2(C)C 1848443506 XDLMQWRANBAVGO-KLZLZNSSSA-N 283.371 2.864 30 50 CFEA C=C(C)[C@@H]1CC=C(CN2C[C@H]3CCCN3C(=O)[C@H]2C)CC1 1772703217 YZFOLDPQURKJSL-DJIMGWMZSA-N 288.435 2.984 30 50 CFEA C=CCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2F)C1 12073129 OAIXUYKSFRSPNI-HNNXBMFYSA-N 290.382 2.825 30 50 CFEA CN(C)/C=N/c1ncc2c(c1C#N)Nc1ccccc1C2 15724551 CYFUKHWFKISTKQ-VXLYETTFSA-N 277.331 2.822 30 50 CFEA C=CCCC/N=C(/O)[C@@]1(O)CCc2ccccc2C1 328586950 KVIVTDYCCWADGK-MRXNPFEDSA-N 259.349 2.829 30 50 CFEA C=CC(=O)N(Cc1ccc2c(c1)CCO2)[C@@H]1CCC[C@H]1C#N 1875388842 SDPHWGHANWEUHM-JKSUJKDBSA-N 296.370 2.828 30 50 CFEA CC1(C)OB(c2ccc([C@@]3(C)CCO3)cc2F)OC1(C)C 958692245 SYKSUKCMMJTOHR-MRXNPFEDSA-N 292.159 2.760 30 50 CFEA CCN(CC)CC#C[C@@](C)(OC(C)=O)c1ccccc1 2491025 CCFRXWGHKFAWDK-QGZVFWFLSA-N 273.376 2.810 30 50 CFEA CCCCCN/C(N)=N/C(=O)c1cc(Cl)ccc1OC 68675223 NWDMFTAPDHOQCA-UHFFFAOYSA-N 297.786 2.583 30 50 CFEA C=CCN1CC[C@H](N2CC[C@@H](c3ccc(CC)cc3)C2)C1=O 433083199 OAWLYYYIQCSWME-MSOLQXFVSA-N 298.430 2.825 30 50 CFEA C=CCN(C(=O)c1cnc(C(C)C)nc1C)C(C)C 71422138 CDGDIXRFYXTVNU-UHFFFAOYSA-N 261.369 2.945 30 50 CFEA CCC(=O)N1CC2CCC1(C/N=C(/O)OC(C)(C)C)CC2 328593371 HSUPUHBJSCAPRU-UHFFFAOYSA-N 296.411 2.897 30 50 CFEA C=CC[C@]1(CO)CCCN(Cc2ccc(F)c(OC)c2)C1 91860195 LKYWOONJYYZLSW-KRWDZBQOSA-N 293.382 2.985 30 50 CFEA C=C(C)COC(=O)c1ccnc(C(=O)OCC(=C)C)c1 170610727 AYUNJGKWKURZDS-UHFFFAOYSA-N 275.304 2.547 30 50 CFEA O=C(/C=C/c1ccc(O)cc1)c1cc(O)ccc1O 4252715 NMANELLSWUVZNL-XVNBXDOJSA-N 256.257 2.700 30 50 CFEA biogenic,in-vitro CCCN(/C=C/C=C(\C(C)=O)C(=O)OCC)CCC 18043520 WRKMUZZPASGQNZ-MXOVAJDFSA-N 267.369 2.701 30 50 CFEA Cc1cncc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)c1 253429854 UZNRHEBYADUQOA-GOSISDBHSA-N 293.370 2.835 30 50 CFEA C=C(C)c1cccc(NCc2noc(COC)n2)c1 901510125 WOAKTRCMHDAIQE-UHFFFAOYSA-N 259.309 2.861 30 50 CFEA O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)N1O 445006 SKFJGBYTAFUYJS-CYBMUJFWSA-N 285.259 2.551 30 50 CFEA C=C(C)Cn1c(CCCNC(C)=O)nc2ccccc21 4943185 MVWRDIJKWCYDMA-UHFFFAOYSA-N 271.364 2.681 30 50 CFEA C=CCOc1ccc(NC(=O)c2cccnc2)cc1 8104635 OARSETKFRRPKTJ-UHFFFAOYSA-N 254.289 2.899 30 50 CFEA C=CCOc1ccc(OCCCCN2CCOCC2)cc1 20653183 GVRIIXLOJAPDEO-UHFFFAOYSA-N 291.391 2.743 30 50 CFEA Cc1nnsc1C/N=C(/O)N1Cc2ccccc2[C@H]1C 330273126 YSPDWCPUIXHBIQ-SNVBAGLBSA-N 288.376 2.837 30 50 CFEA CC(C)(C)OC(=O)N1CCC2(CC1)CC(C#N)C2 38327992 RHQBJRGRDIJKGP-UHFFFAOYSA-N 250.342 2.937 30 50 CFEA CCOC(=O)c1c(Br)cc(F)cc1C#N 263623949 MCOYRBFQBRSADZ-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA C=CCNC(=O)CN1CCC[C@@H](c2ccc(Cl)cc2)C1 1506431422 JLLYAZHOXUDFLA-CQSZACIVSA-N 292.810 2.822 30 50 CFEA S=C(N/N=C/c1ccc2c(c1)OCO2)Nc1ccccc1 525279 VPVHSSHLCMHCBJ-CXUHLZMHSA-N 299.355 2.736 30 50 CFEA C=CCc1cc(OC)ccc1OCCCCn1cncn1 5013373 ACXVRDLCRJGELA-UHFFFAOYSA-N 287.363 2.874 30 50 CFEA CC(C)(O)[C@H]1CCCN1c1cc(C#N)c2ccccc2n1 408194056 GHCNOFJUNDVECW-OAHLLOKOSA-N 281.359 2.846 30 50 CFEA CCS[C@@H]1CCC[C@@H]1NC[C@H](O)c1ccc(C#N)cc1 253393854 ZRNJTVBNDVYZIX-HRCADAONSA-N 290.432 2.855 30 50 CFEA C=C[C@@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2OC)C1 1506408439 YFRLPDMBBNFZRX-CYBMUJFWSA-N 295.404 2.509 30 50 CFEA C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 1847482 WISUNKZXQSKYMR-UHFFFAOYSA-N 286.118 2.887 30 50 CFEA in-vitro C=CCC(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 12056159 RNBBNJNVONLSKU-OAHLLOKOSA-N 292.810 2.997 30 50 CFEA CCCNCc1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 169956077 DCPKGFKOTPOTPJ-UHFFFAOYSA-N 293.191 2.625 30 50 CFEA CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccn2)CC1 72202817 OUILGYJQVAMETA-UHFFFAOYSA-N 287.363 2.874 30 50 CFEA Cn1cc(-c2ccccc2CNc2ccc(C#N)nc2)cn1 253415581 XTGZZFDJCUWBRC-UHFFFAOYSA-N 289.342 2.966 30 50 CFEA C(#CCO[C@@H]1CCCCO1)CCCO[C@H]1CCCCO1 45027778 BUMZREDAGRIUOY-CVEARBPZSA-N 282.380 2.856 30 50 CFEA C=C(C)C(=O)O[C@@H](CC)C(F)(F)C(=O)OC(C)(C)C 95093199 ADENAGIXOIHEFR-VIFPVBQESA-N 278.295 2.861 30 50 CFEA CC1(C)OB(c2c(Cl)ccnc2Cl)OC1(C)C 170162831 ZKIKGOMOMBWEOI-UHFFFAOYSA-N 273.956 2.688 30 50 CFEA in-vitro Cc1cc(-c2csc(N=C(N)N)n2)c(Cl)cc1F 155241942 UGXFJSHGPZOEIW-UHFFFAOYSA-N 284.747 2.816 30 50 CFEA C#CC(C)(C)OC[C@@H](O)CN1C(C)(C)CCCC1(C)C 12384477 OFWCHADDLMSKOU-AWEZNQCLSA-N 281.440 2.819 30 50 CFEA Cc1ccc2c(C)c(C(=O)Nc3[nH]cnc3C#N)oc2c1 1875241902 GUJDBZBEMQOCEP-UHFFFAOYSA-N 280.287 2.897 30 50 CFEA COc1ccc2c(c1)CCN(c1nc(C)cc(C#N)n1)[C@H]2C 1875275954 UTERSUCGZATBBA-LBPRGKRZSA-N 294.358 2.789 30 50 CFEA Cc1nnc(C)n1/N=C/c1ccc(C(F)(F)F)cc1 231336 KOFISCRSDVOSKS-FRKPEAEDSA-N 268.242 2.796 30 50 CFEA C/C(=C\C(=O)c1cccnc1)Nc1ccccc1O 6492616 INZNCSXZCNJEAH-PKNBQFBNSA-N 254.289 2.986 30 50 CFEA CCCC(NC(C)C)=C1C(=O)CC(C)(C)CC1=O 100456445 HPDSVIXFWIJLRI-UHFFFAOYSA-N 251.370 2.997 30 50 CFEA CN(Cc1cc(C#N)ccc1F)C[C@H]1CCc2nccn2C1 328646603 STAOSWVQYHYCFE-CQSZACIVSA-N 298.365 2.588 30 50 CFEA C[C@H]1CCc2nc(N)c(C#N)c(-c3ccc(O)c(O)c3)c2C1 71747248 NQQWZPYPCAXKLE-VIFPVBQESA-N 295.342 2.738 30 50 CFEA C[C@@H]1CN(Cc2ccccc2C#N)CC[C@@]1(O)C1CCC1 91974371 HHIRZVSBIFBYBU-KDOFPFPSSA-N 284.403 2.931 30 50 CFEA CN(Cc1ccccc1C#N)C[C@@H]1CCN(C)C1(C)C 826792166 RGPCWDROMDIXDW-INIZCTEOSA-N 271.408 2.720 30 50 CFEA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)C1(C#N)CCCC1 188706521 OUDMGYUBTKUTQK-OLZOCXBDSA-N 278.396 2.638 30 50 CFEA Cc1cc(C#N)ccc1-c1nnc([C@H]2CCCOC2)o1 952823676 ARCOZWKYLDTDOT-LBPRGKRZSA-N 269.304 2.811 30 50 CFEA C#CCCC1(CCC(=O)Nc2cnc3c(C)cccn23)N=N1 952881766 JGEKUBHLFVENCV-UHFFFAOYSA-N 295.346 2.937 30 50 CFEA C=CCNC(=O)c1ccc(C)c(Br)c1 4195566 YXMFGAVNNFVBAX-UHFFFAOYSA-N 254.127 2.673 30 50 CFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 4624881 NKQHEMPXJALPAD-MRXNPFEDSA-N 297.354 2.828 30 50 CFEA C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1O 100066940 OPVFHCHQMDXESX-OQLLNIDSSA-N 287.275 2.842 30 50 CFEA Cc1ccc(S(=O)(=O)C#C[Si](C)(C)C)cc1 170159420 MMUNNGUGQXEUBR-UHFFFAOYSA-N 252.411 2.607 30 50 CFEA C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 333612033 YCZXNNDERPERJJ-RBZJEDDUSA-N 290.407 2.622 30 50 CFEA Brc1ccc(C=Nc2ncccn2)cc1 254386692 WEVHFUXNMFWXSL-UHFFFAOYSA-N 262.110 2.990 30 50 CFEA CC#CC(=O)NCc1ccc(Oc2cccnc2)c(F)c1 764446526 YFTCNCPJVBPJDM-UHFFFAOYSA-N 284.290 2.653 30 50 CFEA CC[N+]([O-])(CC)CC(=O)Nc1c(C)cccc1C 33753849 YDVXPJXUHRROBA-UHFFFAOYSA-N 250.342 2.596 30 50 CFEA in-vitro CC(C)(C)OC(=O)N1CC[C@@](C=O)(C(C)(C)C)C1 1772717350 UZWMLQLGZATLRE-CQSZACIVSA-N 255.358 2.859 30 50 CFEA N#Cc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1Cl 1635597 XBOQCIVRIFOJCP-UHFFFAOYSA-N 262.008 2.681 30 50 CFEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 35571491 JSILKJJKWZCJME-CQSZACIVSA-N 269.341 2.664 30 50 CFEA CC1(C)CC(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)C1 334306333 HAEXFOMKIHOOFB-YOEHRIQHSA-N 290.407 2.876 30 50 CFEA CC(/C=C/c1ccccc1)=NNc1nnc(SCC#N)[nH]1 245254038 YEHKGMLFLMTBOX-KKKMGPSGSA-N 298.375 2.922 30 50 CFEA CN(C)C(=NC[C@H](c1ccccc1)C(F)(F)F)N(C)C 185954163 GVXAJVSOIPKCBL-GFCCVEGCSA-N 287.329 2.812 30 50 CFEA N#Cc1ncc(OCCCOc2ccc(Cl)cc2)cn1 548284070 RGGVVWRTTPMXJQ-UHFFFAOYSA-N 289.722 2.850 30 50 CFEA N#CCCNc1ccc(Br)cc1C#N 132713702 ZVGQCCCGGPQPAD-UHFFFAOYSA-N 250.099 2.646 30 50 CFEA CC1(C)CC(=O)CC(C)(C)N1OC(=O)c1ccccc1 464417 PLNDMBJJIUIABY-UHFFFAOYSA-N 275.348 2.981 30 50 CFEA CC1(C)OB(c2cccc(Cl)c2C#N)OC1(C)C 170008891 MMAGXXNVDWQTPQ-UHFFFAOYSA-N 263.533 2.511 30 50 CFEA COc1ccccc1-c1c(C#N)c(N)nc2c1CO[C@H]2C 71755150 OYMADRFLMRYUHZ-VIFPVBQESA-N 281.315 2.802 30 50 CFEA C=CCOc1ccccc1CN1CCCn2cncc2C1 72149043 LEPZHQLEPJLYIW-UHFFFAOYSA-N 283.375 2.854 30 50 CFEA C=C(C)C[C@H](C)C(=O)Nc1ccccc1CC(=O)OC 185758770 QCUCVGNBYIGTAT-LBPRGKRZSA-N 275.348 2.943 30 50 CFEA CC1(C)OB(c2cc(F)c(F)c(F)c2F)OC1(C)C 199594041 RUWSQJMLOJIUSS-UHFFFAOYSA-N 276.038 2.542 30 50 CFEA N#Cc1cccc(N2CCC([C@H](O)c3cccs3)CC2)n1 1506413833 MASRZKUBMBHKLI-INIZCTEOSA-N 299.399 2.965 30 50 CFEA Cc1ccc(C)c(CC(=O)N2CCC[C@](C)(C#N)C2)c1 221376974 HNBNJCLDGOZPDN-QGZVFWFLSA-N 270.376 2.998 30 50 CFEA N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(C2CC2)nc1N 19608461 LWLDEAJBJSFNLO-UHFFFAOYSA-N 280.287 2.988 30 50 CFEA COc1ccccc1/C=N/Nc1cc(Cl)nc(C)n1 4595579 WQBOUUWQPFXCMZ-OVCLIPMQSA-N 276.727 2.893 30 50 CFEA CC1(C)OB(c2cc(F)cc3cc[nH]c23)OC1(C)C 1857781262 CRAMGGHZYOROQI-UHFFFAOYSA-N 261.105 2.606 30 50 CFEA COc1ccc(OCC#CCN2CCCCCC2)cc1 2838915 TUMVEOLIFVAYCP-UHFFFAOYSA-N 273.376 2.953 30 50 CFEA CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O 100304167 VKGICQBHQLMRAC-UHFFFAOYSA-N 251.289 2.523 30 50 CFEA CC(O)=Nc1ccn([C@H]2CCN(c3ccc(C#N)cc3)C2)n1 328613163 QYCXEYZKTAQURQ-HNNXBMFYSA-N 295.346 2.814 30 50 CFEA N#Cc1ccccc1COc1ccc2c(c1)CCCNC2=O 334224433 AKHDCRLINYEQIY-UHFFFAOYSA-N 292.338 2.813 30 50 CFEA CN(C)Cc1csc(CN2CCC[C@@H](C#N)C2)c1 97759152 QPYKJTULDLHXMG-LBPRGKRZSA-N 263.410 2.545 30 50 CFEA N#CCc1ccnc(C(F)(F)F)c1Br 238582500 JMQVOQINAXSYTD-UHFFFAOYSA-N 265.032 2.929 30 50 CFEA CC1(C)OB(c2cccc3cccnc23)OC1(C)C 169743872 RNTGVJBKPQOGPS-UHFFFAOYSA-N 255.126 2.534 30 50 CFEA in-vitro C[C@@H]1CC(C)(C)OB(c2ccc(Br)cc2)O1 169807008 PRUASQKAECKLGK-SECBINFHSA-N 282.974 2.748 30 50 CFEA in-vitro C=C(C)C[C@H](C)C(=O)N[C@@H](c1csc(C)n1)[C@@H](C)O 585126871 KFVDAIRXSLWZHY-OPQQBVKSSA-N 282.409 2.592 30 50 CFEA C[C@H]1CN([C@H](C#N)c2cccc(Cl)c2)CCO1 238900819 KGXYJGMYSZEBFK-GXFFZTMASA-N 250.729 2.625 30 50 CFEA CC/C(O)=N/C(=N)Nc1nc(C)c2cc(C)ccc2n1 4187536 WXYCWULAUCZCNX-UHFFFAOYSA-N 271.324 2.960 30 50 CFEA CN(Cc1ccno1)C(=O)C#Cc1ccc2ccccc2c1 19218582 OUWKPNNNACDJSO-UHFFFAOYSA-N 290.322 2.838 30 50 CFEA CCC[C@H]1O[C@@]23CCCC[C@H]2[C@@](C#N)(C(=N)O3)C1(C#N)C#N 205950026 QSYAOBUMIKSMLP-SHUKQUCYSA-N 298.346 2.623 30 50 CFEA C#CCCC1(CCC(=O)N[C@@H]2COc3ccc(C)cc32)N=N1 952881571 OBUMSHADPGQOIM-CQSZACIVSA-N 297.358 2.900 30 50 CFEA O=C([C@@H]1CO1)N1CCC[C@H]1c1ccccc1C(F)(F)F 1875372392 FCJIOJMAPGZQOA-RYUDHWBXSA-N 285.265 2.768 30 50 CFEA Cc1cc(C)cc(-n2nccc2B2OC(C)(C)C(C)(C)O2)c1 958749344 KJGUXODBWVMJPD-UHFFFAOYSA-N 298.195 2.788 30 50 CFEA CCOc1nccc2oc(B3OC(C)(C)C(C)(C)O3)cc12 1775956808 YPWGYXFKXNEDDK-UHFFFAOYSA-N 289.140 2.526 30 50 CFEA CC1(C)OB(c2c(Cl)cccc2C#N)OC1(C)C 306591101 PXGIQPYXGJFUCJ-UHFFFAOYSA-N 263.533 2.511 30 50 CFEA C=C(C)COc1ccccc1CN[C@H](C)c1nncn1C 55387012 AEUFWOVVHUTJRG-CYBMUJFWSA-N 286.379 2.621 30 50 CFEA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[N+](C)(C)C 25626192 ILQRAXINCJFNAQ-RDBSUJKOSA-N 256.410 2.697 30 50 CFEA CCN(CC)c1ncccc1CNc1cccc(C#N)n1 67692340 KBCGVWKKQXRYHJ-UHFFFAOYSA-N 281.363 2.807 30 50 CFEA C#Cc1cc(F)c(NCc2nnc(C)s2)c(F)c1 253397771 JRQZGTHUVHULMT-UHFFFAOYSA-N 265.288 2.718 30 50 CFEA CC#CCN1CC=C(c2cnn(CCCC)c2)CC1 67559460 FBKOSGAPBHGIOM-UHFFFAOYSA-N 257.381 2.796 30 50 CFEA Cc1nnsc1C/N=C(/O)N1C[C@H](C)c2ccccc21 330205955 CUHRVZFTYYTYDL-VIFPVBQESA-N 288.376 2.884 30 50 CFEA CN(CC#N)C(=O)c1cccc(OC2CCCC2)c1 330651542 ILULGWIDAIQAHP-UHFFFAOYSA-N 258.321 2.604 30 50 CFEA C=CCN(Cc1ccccc1OC)C(=O)c1cncnc1C 952961109 LLVCIUZKSIPMTQ-UHFFFAOYSA-N 297.358 2.622 30 50 CFEA C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccc(C#N)cc2)C1 217673783 ZKPHFTGXJVKGKY-MGPQQGTHSA-N 285.391 2.863 30 50 CFEA CC#CCN1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1 276165598 QPNALABDBLMCBX-CZUORRHYSA-N 273.380 2.570 30 50 CFEA N#C[C@@H]1c2ccccc2CCN1C(=O)c1ccccc1 337459 SUCYGZUQJXUYID-MRXNPFEDSA-N 262.312 2.950 30 50 CFEA N#Cc1nc(Cl)c2sc(=O)sc2c1Cl 1445556 DNPAIGFYNFCAPJ-UHFFFAOYSA-N 263.130 2.896 30 50 CFEA O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 43443190 CXZGQIAOTKWCDB-UHFFFAOYSA-N 264.043 2.539 30 50 CFEA in-vitro CCC[C@@H]1CN(c2nc(C)cc(C)c2C#N)C[C@H]1N(C)C 95519104 VUZKOEBIGHODSR-GDBMZVCRSA-N 286.423 2.737 30 50 CFEA CC(C)(C#N)c1ccc(-c2cnc3n[nH]nc3c2)cc1 96136069 NQMWEYOHGAHKQG-UHFFFAOYSA-N 263.304 2.821 30 50 CFEA CN(C)c1ccc(/[N+]([O-])=C/C(=O)Nc2ccccc2)cc1 261494848 LYPDPIHDXAKFQT-UNOMPAQXSA-N 283.331 2.604 30 50 CFEA CC(C)c1ccc(C#N)c(NC[C@H](CO)C(C)C)n1 828650106 BQWUCLGWQJEROX-CYBMUJFWSA-N 261.369 2.753 30 50 CFEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 169807981 JQGJYYVZYCVUFV-UHFFFAOYSA-N 252.550 2.948 30 50 CFEA CC1=[N+](CC(=O)c2ccccc2)CCn2c(C)ccc21 1770263 OADDQTGRPKOSLG-UHFFFAOYSA-N 267.352 2.515 30 50 CFEA C=C(C)Cn1c([C@H](C)NC(C)=O)nc2ccccc21 2601761 AJWYNOIGGGJHJD-NSHDSACASA-N 257.337 2.810 30 50 CFEA COc1cccc(/C=C/C(=O)c2c(C)cc(C)[nH]c2=O)c1O 4009477 SSGFIRPTZPUHTQ-BQYQJAHWSA-N 299.326 2.602 30 50 CFEA Cc1cc([N+](=O)[O-])cc2c1NC(=O)/C2=N\Nc1ccccc1 6825893 MVAOCOPKYMVBJJ-UHFFFAOYSA-N 296.286 2.672 30 50 CFEA N#Cc1ccncc1N1CCC=C(c2ccncc2)C1 343969786 ONTWKNLOBYUUMO-UHFFFAOYSA-N 262.316 2.642 30 50 CFEA N#CC1(C(=O)N2CCc3ccccc3CC2)CC2(CC2)C1 601184278 LDGWUYFKYMQSDZ-UHFFFAOYSA-N 280.371 2.698 30 50 CFEA Cc1cc(-c2ccnc3c(C#N)cnn23)c(C)s1 4037997 CGWKXDFHRDWBAS-UHFFFAOYSA-N 254.318 2.946 30 50 CFEA CC[C@@H](C)n1ncc(NC(O)=Nc2c[nH]nc2C)c1C 331125161 NKLKMUFCZSIGSX-MRVPVSSYSA-N 276.344 2.852 30 50 CFEA N#CCNC(=O)C1(Cc2cccc(F)c2)CCCCC1 288392477 MFQOJQNHGQWXKW-UHFFFAOYSA-N 274.339 2.958 30 50 CFEA C=CCOc1cccc(B2OC(C)(C)C(C)(C)O2)c1 169955701 WSJUJRNLCPKWQL-UHFFFAOYSA-N 260.142 2.551 30 50 CFEA in-vitro CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CSCC#N)n1 170602078 NQEOIVKSNMAZIH-ONGXEEELSA-N 281.381 2.745 30 50 CFEA O=[N+]([O-])c1cccc(N/C(S)=N/Cc2ccncc2)c1 13519874 PIBDWSQUGHNUIJ-UHFFFAOYSA-N 288.332 2.888 30 50 CFEA CN(C)c1ncccc1-c1nc2c(cc1C#N)CCCC2 1875248139 YZMHWJKDNUFKJM-UHFFFAOYSA-N 278.359 2.960 30 50 CFEA N#Cc1c(F)cccc1N1CCC[C@@H](c2ccn[nH]2)C1 301146431 LXHMRWVFHGXDAN-LLVKDONJSA-N 270.311 2.804 30 50 CFEA C[C@@H]1N=C(O)CC[C@@H]1/N=C(/O)c1cccnc1C1CC1 328648316 AILRDXKXZKUVIQ-CABZTGNLSA-N 273.336 2.771 30 50 CFEA Cc1cccc(S(=O)(=O)N(C)C2CC(C)(C)C2)c1C#N 332429133 GQSLXHYRKYDJDC-UHFFFAOYSA-N 292.404 2.676 30 50 CFEA Cc1cc(N)ncc1C1CCN(c2ccnc(C#N)c2)CC1 1775994107 UEGGMSSJFDDLIL-UHFFFAOYSA-N 293.374 2.623 30 50 CFEA C=CCc1ccccc1Oc1cc(OC)nc(N)n1 53269 WKGKXOUUHVJGFP-UHFFFAOYSA-N 257.293 2.588 30 50 CFEA N#Cc1ccccc1Cn1ccnc1[C@@H](O)c1ccccc1 132749680 JVTQSHYGNDYXRF-KRWDZBQOSA-N 289.338 2.885 30 50 CFEA CCOC(=O)N1CC[C@](C#N)(Nc2ccccc2)[C@@H](C)C1 196077474 XBAFUOWFJSCHEJ-XJKSGUPXSA-N 287.363 2.859 30 50 CFEA CO[C@]1(C)C[C@H](N(C)c2cccc(C#N)n2)C1(C)C 270031923 HDQCBXFZVQBJLB-SWLSCSKDSA-N 259.353 2.593 30 50 CFEA C=C[C@H]1CCN(C(=O)CSc2nc(C)cs2)C1 1506400062 SYQLDDGZMYLIJB-JTQLQIEISA-N 268.407 2.578 30 50 CFEA CC1=CC(=O)/C(=C\Nc2cccc3ncccc23)C(=O)O1 1547200925 OQMOWJNZJMUUKA-FMIVXFBMSA-N 280.283 2.560 30 50 CFEA C#CCCC1(CCC(=O)N2Cc3cccc(OC)c3C2)N=N1 952879789 AWJREWDMVQWPQU-UHFFFAOYSA-N 297.358 2.893 30 50 CFEA CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 170003249 UWLRINVGWAKIKC-UHFFFAOYSA-N 295.575 2.598 30 50 CFEA Cc1cccc(NC=C2C(=O)CC(C)(C)CC2=O)n1 100446532 GQYIMPZQVMJAFB-UHFFFAOYSA-N 258.321 2.644 30 50 CFEA C(=C/c1ccccc1)\C=N\N1CCN(c2ccccn2)CC1 100577238 DYJPBWZMZVMRSW-XCHVBMRISA-N 292.386 2.903 30 50 CFEA C[C@@H]1CCc2nc(N)c(C#N)c(-c3ccc(O)c(O)c3)c2C1 71747247 NQQWZPYPCAXKLE-SECBINFHSA-N 295.342 2.738 30 50 CFEA COc1nccc(C[C@@H]2COc3ccccc3C2)c1C#N 92028865 KQBRHGISCTZDDL-LBPRGKRZSA-N 280.327 2.756 30 50 CFEA COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1C 169839061 TXIXUBXWDMWIEQ-UHFFFAOYSA-N 262.158 2.611 30 50 CFEA in-vitro NC(=S)N/N=C1\CCCC[C@H]1C1=CCCCC1 5015568 VGVSLVKOTRYKIK-NUFCYMDASA-N 251.399 2.866 30 50 CFEA N#Cc1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])cc1 4119174 KFEBRBRFEHQRRD-MHWRWJLKSA-N 266.260 2.912 30 50 CFEA Cc1ccc(OCC(=O)O/N=C(\N)c2ccccc2)cc1C 5041796 GJKDSNOQMKCDLL-UHFFFAOYSA-N 298.342 2.546 30 50 CFEA C=C(C)COc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 16576534 PNPLHUWVTVEYRN-OKILXGFUSA-N 289.375 2.891 30 50 CFEA CCCc1n[nH]cc1/C(O)=N/C[C@H]1CCO[C@@H]1C(C)C 328610883 JLXQKGMRKASGNY-BXUZGUMPSA-N 279.384 2.728 30 50 CFEA C#CCCC1(CCC(=O)N2CCC3(CC2)CC3(F)F)N=N1 952882298 UGOXPEWWNDITFB-UHFFFAOYSA-N 295.333 2.990 30 50 CFEA C=CCn1c(SC)nc2sc(C)c(C)c2c1=O 3098829 KMTRDUWYQIUEPY-UHFFFAOYSA-N 266.391 2.983 30 50 CFEA Cc1ccc(C(C)C)c(OCC#CCN2CCOCC2)c1 20390114 MRDHNNGSGKXAHN-UHFFFAOYSA-N 287.403 2.833 30 50 CFEA C=CCN(C)Cc1cc2ccc(SC)cc2[nH]c1=O 67805849 FZAUDGXHBXSCBC-UHFFFAOYSA-N 274.389 2.868 30 50 CFEA Cc1cncc(N=C(O)c2coc(C3CCOCC3)n2)c1 328779582 GUJBLRKUHURNMN-UHFFFAOYSA-N 287.319 2.908 30 50 CFEA C=CC[C@H](CC)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 282101118 ZFVAARACDOILIK-ZDUSSCGKSA-N 299.378 2.958 30 50 CFEA CC(C)(C)OC(=O)C1CC(NCc2ccc(C#N)cc2)C1 40450104 CPFQEPHUNHXAFE-UHFFFAOYSA-N 286.375 2.768 30 50 CFEA N#C[C@@H](CC1CC1)C(=O)N1CCO[C@@H](c2cccs2)C1 170080073 XMNNHYJREATXDS-CHWSQXEVSA-N 290.388 2.588 30 50 CFEA CC(C)(C)[C@H]1OCC[C@@H]1CNCc1ccc(C#N)o1 189235226 GBUWGTHHDFQFEO-RISCZKNCSA-N 262.353 2.692 30 50 CFEA C[C@@H](O)[C@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C1 129389941 RGMKNGLVPQIWGW-KOLCDFICSA-N 284.281 2.784 30 50 CFEA Cc1ccnc(N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1C#N 253623547 YXFOKOZSGUCRRV-HOCLYGCPSA-N 297.333 2.713 30 50 CFEA CO[C@H]1C[C@@H](CCNc2nc3ncccc3cc2C#N)C1 1875305682 YARRZNMPTHOFOW-VDISTLRHSA-N 282.347 2.728 30 50 CFEA CN1C[C@@H](Cc2ccccc2)N/C1=N/Cc1ccccc1 1775993794 KZHZNPQKLCOREN-QGZVFWFLSA-N 279.387 2.689 30 50 CFEA CCCCCC/C=C/[N+]([O-])=N[C@H](COC)[C@H](C)O 100307386 BCPWSYQGYBTINM-HPGRJLNASA-N 258.362 2.829 30 50 CFEA in-vitro COc1nccc(Oc2ccccc2CN(C)C)c1C#N 67727114 HUKXPWOMRYBDCK-UHFFFAOYSA-N 283.331 2.816 30 50 CFEA COc1ccccc1[C@@H]1CCCN1c1cnc(C#N)cn1 123650533 LSXJOFPZFOCIPB-AWEZNQCLSA-N 280.331 2.698 30 50 CFEA N#CC1(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CCSCC1 252802027 ZQGNIQXJPHHUPE-AVGNSLFASA-N 278.421 2.718 30 50 CFEA C=CC[C@]1(CO)CCCN(C(=O)CCc2ccsc2)C1 91876486 QOJBFMQUJSCENA-INIZCTEOSA-N 293.432 2.858 30 50 CFEA COc1nccc(-c2cnn(CCC(C)C)c2)c1C#N 96130808 MHDTZJNROHWQQY-UHFFFAOYSA-N 270.336 2.871 30 50 CFEA CC#CC(=O)N[C@H]1C[C@H]1Cc1ccc(C(F)(F)F)cc1 408515927 QNSWBXJITLWTGQ-YPMHNXCESA-N 281.277 2.776 30 50 CFEA N#Cc1cnn2cc(Br)cc2c1Cl 203798367 HWAKDBSHORTLIK-UHFFFAOYSA-N 256.490 2.622 30 50 CFEA CS[C@@H]1CCC[C@@H]1N(C)Cc1ccc(C#N)o1 110702346 JZUDRBBKHZWUQT-QWHCGFSZSA-N 250.367 2.867 30 50 CFEA OC1=N[C@@H](/C(O)=N/[C@@H]2CSc3ccccc32)CC1 329567552 PEZWUHBQEVJFDO-NXEZZACHSA-N 262.334 2.909 30 50 CFEA Cc1c(NCc2cccc(C#N)c2)cnn1[C@H]1CCOC1 449539505 WFJFIXRJARVKIT-HNNXBMFYSA-N 282.347 2.637 30 50 CFEA CC(C)(C)c1cc(NC(=O)c2cncnc2)c(C#N)s1 273702264 JMZDIBAJQTYIBN-UHFFFAOYSA-N 286.360 2.960 30 50 CFEA CC1(C)OB(c2cc(N)cc(C(F)(F)F)c2)OC1(C)C 169935990 MBZAVZRGXBFAPQ-UHFFFAOYSA-N 287.090 2.587 30 50 CFEA in-vitro C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C#N)cc1 453144 NLYPNIQQKAJYHP-GFCCVEGCSA-N 266.300 2.964 30 50 CFEA C=CCN(CC=C)C(=O)/C=C/c1ccc(OC)c(OC)c1 460571 AWMMOEHXELLWGD-CSKARUKUSA-N 287.359 2.918 30 50 CFEA CN1CCC[C@H]1/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1 328609353 CYOUTNJGUAAXOB-OWCLPIDISA-N 288.391 2.815 30 50 CFEA CC(C)[C@@H]1C/C(=N\NC(N)=S)C=C2CCCC[C@@H]21 15906112 XGXXCLXVNNPUDX-NSLPOSAJSA-N 265.426 2.968 30 50 CFEA NC(=S)N/N=C/c1csc2ccc(Cl)cc12 330007 ODWTYYZNJGFTAP-YIXHJXPBSA-N 269.782 2.722 30 50 CFEA C#CCOC(=O)c1ccccc1C(=O)NC1CCCCC1 22017664 WTSVNCSZYBATFM-UHFFFAOYSA-N 285.343 2.539 30 50 CFEA CC(O)=Nc1ccn([C@@H]2CCN([C@H](C)c3ccccn3)C2)n1 328617210 CLVVUEUENNUNJG-TZMCWYRMSA-N 299.378 2.894 30 50 CFEA CSc1nnc(C(F)F)n1/N=C/c1cccc(O)c1 2789850 QWATWJSYYLOWKA-MKMNVTDBSA-N 284.291 2.525 30 50 CFEA Cc1cc(C(O)=Nc2cnn([C@H](C)C3CC3)c2)cnn1 329832466 KWNUPZFGBPJUEK-SNVBAGLBSA-N 271.324 2.589 30 50 CFEA COc1cc(C/C(O)=N/[C@H]2CCc3c[nH]nc3C2)ccc1C 329837124 IEGVTSCTUVXEOU-AWEZNQCLSA-N 299.374 2.783 30 50 CFEA CSc1nc(C(=O)N2CCC[C@@](C)(C#N)C2)cs1 215434126 ZMXUZVQEANGYLB-LBPRGKRZSA-N 281.406 2.631 30 50 CFEA CC[C@H]1CN(C(=O)c2ccccc2C#N)CCN1C(C)C 91350621 JLFPFBDRJCDMGJ-HNNXBMFYSA-N 285.391 2.503 30 50 CFEA C#CCCCC(=O)NCCNc1ccc2ccccc2n1 277039681 DQYXVDRFRMRQIC-UHFFFAOYSA-N 281.359 2.566 30 50 CFEA N#Cc1ccnc(NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1 581267860 GUCQMMKQSHOIGA-AAEUAGOBSA-N 299.296 2.849 30 50 CFEA Cn1c(SCC(C)(C)CC#N)nnc1-c1cccnc1 408522049 CHZRBBZVXNCHEW-UHFFFAOYSA-N 287.392 2.909 30 50 CFEA CC(C)Oc1ccc(C(=O)N2CCC[C@@H]2C#N)cc1 700980945 LLPBDGFVOREHSF-CYBMUJFWSA-N 258.321 2.602 30 50 CFEA C[C@]1(O)CCCN(/C(O)=N/C(C2CCC2)C2CCC2)C1 329703722 IZQLATJNHXXZGV-INIZCTEOSA-N 280.412 2.716 30 50 CFEA N#Cc1cnccc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 373459715 GLESKOFIQUSTJR-GFCCVEGCSA-N 295.346 2.598 30 50 CFEA CC(C)CCNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 199592170 JFKOUXILLMTQOA-UHFFFAOYSA-N 290.216 2.839 30 50 CFEA COC(C)(C)C#C/C=C/S(=O)(=O)c1ccc(C)cc1 2051701 PDDUHLLFHVZPKM-WUXMJOGZSA-N 278.373 2.711 30 50 CFEA COc1ccc(C2(CNCC#N)CCCC2)cc1OC 19720486 AZPWXTGRXPMUSC-UHFFFAOYSA-N 274.364 2.629 30 50 CFEA N#CC1(C#N)[C@H]2C=C[C@@H]([C@@H]3C4=C(CCCC4)[C@H]23)C1(C#N)C#N 104280519 DEFLFSUEZFEXPP-YHUYYLMFSA-N 286.338 2.986 30 50 CFEA CC(O)=Nc1ccn([C@@H]2CCN(Cc3ccc(C)o3)C2)n1 328645344 ZOXQCGMVFHXVTA-CYBMUJFWSA-N 288.351 2.839 30 50 CFEA N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C[C@H]1CCOC1 329845872 YBJUSPRQEHWFDF-DJIMGWMZSA-N 298.386 2.711 30 50 CFEA CC1(C)CC(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)C1 334306330 HAEXFOMKIHOOFB-PBHICJAKSA-N 290.407 2.876 30 50 CFEA N#Cc1ccccc1-c1cc(C(=O)NC2CC2)ccn1 534666516 BYVXBLWFSGSYOF-UHFFFAOYSA-N 263.300 2.512 30 50 CFEA C=CC12CCC(NC(=O)OC(C)(C)C)(CC1)CO2 95931462 KYFBHUHBCGVWNF-UHFFFAOYSA-N 253.342 2.779 30 50 CFEA in-vitro O=C(/C=C/N1C(=O)c2ccccc2C1=O)c1ccccc1 236834 XGOIPSPRYYSFMC-ZHACJKMWSA-N 277.279 2.679 30 50 CFEA CC(C)(C)OC(=O)NC1(C#C[Si](C)(C)C)CC1 220717315 GEIUGAYQJUEUBG-UHFFFAOYSA-N 253.418 2.925 30 50 CFEA in-vitro N#Cc1ccc(CN2CCO[C@@H]3CCCC[C@H]32)cc1 230251063 KDKRRQORUZOKFU-HZPDHXFCSA-N 256.349 2.702 30 50 CFEA COCc1nocc1/C(O)=N/CCc1cccc(F)c1 328592610 OMGJQHHOXXYYAI-UHFFFAOYSA-N 278.283 2.507 30 50 CFEA Cc1ccc2c(c1)CC[C@@H](/C(O)=N/Cc1cnc[nH]1)O2 330021642 YDZVRVVDXWRNPW-AWEZNQCLSA-N 271.320 2.568 30 50 CFEA N#Cc1ccc(Oc2ccc(C#N)c(C#N)c2)cc1C#N 281567 XMTHKRUBGGLPJA-UHFFFAOYSA-N 270.251 2.966 30 50 CFEA Cc1ccc(Cl)cc1NC(=O)CSCC#N 1910749 YGPLNEVBNBABQO-UHFFFAOYSA-N 254.742 2.844 30 50 CFEA N=C(N)N/N=C(\CCc1ccccc1)c1ccccc1 4760440 TZPCQBPPAFMJAK-XDJHFCHBSA-N 266.348 2.507 30 50 CFEA O=C1C(Cl)=C(Cl)[C@H]2[C@H]1[C@H]1C=C(Cl)[C@@]2(Cl)C1=O 104129301 RDFNEVSQEPGJFK-ADINDXHDSA-N 297.952 2.804 30 50 CFEA Sc1nnc(C2CCCCC2)n1N=Cc1cccnc1 252429340 FGNNKLDGGAAOMW-UHFFFAOYSA-N 287.392 2.892 30 50 CFEA C#CCC(C)(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C 193657373 PJSIIFKBWFXFBG-GOEBONIOSA-N 286.419 2.844 30 50 CFEA Oc1ccc(/C=N/n2c(-c3ccco3)n[nH]c2=S)cc1 1251231 GTIFTJLMNRGJIQ-RIYZIHGNSA-N 286.316 2.788 30 50 CFEA Cc1ccc(N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)nc1C#N 253395785 HEKFGEPZUNQQGD-FVQBIDKESA-N 285.391 2.782 30 50 CFEA CC(=O)O[C@@H](C#CBr)c1ccccc1 294607 XNZPLOIVOXICDX-NSHDSACASA-N 253.095 2.647 30 50 CFEA COc1ccc([C@H]2O[C@]23Cc2ccccc2C3=O)cc1OC 1572016 JCENLDBODYOIBO-MSOLQXFVSA-N 296.322 2.953 30 50 CFEA C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N(CC)CCCC 55414596 BUVKPGKNRNSLOW-CABCVRRESA-N 294.439 2.744 30 50 CFEA CCN(C[C@H]1CCCCO1)C(=O)c1ccccc1C#N 223385049 IHJIDWBYXIDHJE-CQSZACIVSA-N 272.348 2.589 30 50 CFEA N#Cc1cc(Br)cc(N2CCCC2)c1 144120499 ZQXHUVROIPCLPL-UHFFFAOYSA-N 251.127 2.921 30 50 CFEA COc1ccccc1O[C@H](C)CNc1ccc(C#N)nc1 267412007 RVZPSYGBBDHIBS-GFCCVEGCSA-N 283.331 2.841 30 50 CFEA CCCCc1ncc(CN2CCC[C@](C)(C#N)C2)[nH]1 670449454 ZCNVDKZMPZDUTI-OAHLLOKOSA-N 260.385 2.878 30 50 CFEA C=C(C)CNC(=O)Nc1cccc(NC(=O)CC)c1 170601503 GTZNYFYSBFBBDD-UHFFFAOYSA-N 261.325 2.733 30 50 CFEA N#CC1(CC(=O)N2CCC(F)(F)C2)CCCCC1 597475755 FQYOTWHMJGDGPZ-UHFFFAOYSA-N 256.296 2.718 30 50 CFEA CCOc1cc(C#N)c(Br)cc1OC 5953385 AFKFWWUTJQDQTI-UHFFFAOYSA-N 256.099 2.728 30 50 CFEA in-vitro COc1ccc(/C=C/C(=O)c2c(C)cc(C)[nH]c2=O)cc1 5276960 BWQVOCYADQWONW-RMKNXTFCSA-N 283.327 2.896 30 50 CFEA CNC(=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cccc(C#N)c1 252570597 WWWCGELKLFDWBM-MAZHCROVSA-N 285.391 2.514 30 50 CFEA CC#CC(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 830970136 OVHNPBBJRCBPBH-QGZVFWFLSA-N 284.403 2.523 30 50 CFEA Cc1ccccc1C(NC(=O)[C@@H]1CO1)c1ccccc1C 1875372891 OYJFJHXIQUBTFQ-INIZCTEOSA-N 281.355 2.908 30 50 CFEA C=CCN(CC=C)C(=O)Nc1ccc(OC)c(OC)c1 611845 CEYKDIMLLIBTAA-UHFFFAOYSA-N 276.336 2.910 30 50 CFEA N#Cc1cc2c(nc1SCCC1OCCO1)CCCC2 4451107 SRLFAVIIFQRIGC-UHFFFAOYSA-N 290.388 2.687 30 50 CFEA N#Cc1ccccc1NC(=O)COc1ccc(F)cc1F 6699232 MSDWTMUNYHBPOB-UHFFFAOYSA-N 288.253 2.854 30 50 CFEA Cc1ccc([C@@H]2CC(=O)C=C(NCCc3c[nH]cn3)C2)cc1 100432836 PUGWJFGNAITZNI-HNNXBMFYSA-N 295.386 2.881 30 50 CFEA C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCS[C@H]2CCCC[C@H]21 328588990 ZQHGCEPANFAJOQ-APIJFGDWSA-N 295.448 2.854 30 50 CFEA CCN1C=CC=C/C1=C/C=C1\C=C([N+](=O)[O-])C=CC1=O 135793858 KIZSDPQIEIQZGK-FVPAAFGUSA-N 270.288 2.502 30 50 CFEA C=C(C)COc1ccccc1NC(=O)NC[C@@H]1CCOC1 299788206 XSBASTJKAFFUQX-ZDUSSCGKSA-N 290.363 2.800 30 50 CFEA Cc1cc(C)n2nc(S[C@H]3CC[C@@H](C#N)C3)nc2n1 278528564 HZGAISCIBZVRBL-MNOVXSKESA-N 273.365 2.526 30 50 CFEA N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1ccco1 195572840 PJQYCOOCKVGFGE-UHFFFAOYSA-N 294.307 2.528 30 50 CFEA C=CCN1C(=O)COc2ccc(NC(=O)CCCC)cc21 12296154 SHDBJOPZKIKFMA-UHFFFAOYSA-N 288.347 2.727 30 50 CFEA CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1 4916463 UCWCBUDXJBXMHI-CYBMUJFWSA-N 269.344 2.860 30 50 CFEA Cc1c([C@H]2CC2(C)C)nc(N)c(C#N)c1-c1c[nH]cn1 71661954 PTAJFGZJRHCQHR-SNVBAGLBSA-N 267.336 2.748 30 50 CFEA CCCCN(Cc1cccnc1)C(=O)c1cc(C#N)cn1C 952979831 OVJILFVHYQDNGV-UHFFFAOYSA-N 296.374 2.734 30 50 CFEA C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccccc2C#N)C1 217673697 ATWWHHIJLCZMES-MGPQQGTHSA-N 285.391 2.863 30 50 CFEA CSC(=N)N/N=C/c1c(O)ccc2ccccc12 5721281 BPWGWGHGYGRHAL-OVCLIPMQSA-N 259.334 2.767 30 50 CFEA Cc1ccc(/C=N/n2c(S)nnc2-c2ccccn2)cc1 5968175 LQZWJWZLHAMYBS-LICLKQGHSA-N 295.371 2.819 30 50 CFEA C#CCCC1(CCC(=O)N2CC[C@H](C3CCC3)C2)N=N1 952883572 VEQOATIKROEBLF-AWEZNQCLSA-N 273.380 2.991 30 50 CFEA Cc1ccc(C#N)c(N2CCC[C@H]2[C@@H]2CCCOC2)n1 1875305437 RDWKVPACFGZUBP-CABCVRRESA-N 271.364 2.657 30 50 CFEA Cc1cc(N)ncc1C1CCN(c2ccc(C#N)cn2)CC1 1775999965 ZUHMVWOCOJGITI-UHFFFAOYSA-N 293.374 2.623 30 50 CFEA CO[C@@H](/C=N/N=c1[nH]c2ccncc2s1)C1CCCC1 2325760481 YYIYSIGYNINDBQ-WIJRQFRKSA-N 290.392 2.716 30 50 CFEA N/N=C1C(=C\c2ccccc2Cl)/N2CCC/1CC2 39942122 UQKVQBFJZFLGCL-LWZLUOGLSA-N 261.756 2.721 30 50 CFEA C=C(C)CNC(=O)Nc1cccc(-c2cn[nH]c2)c1 157750673 AFXCYKRJIBLZQN-UHFFFAOYSA-N 256.309 2.774 30 50 CFEA CC1(C)OB(c2cccc(OC(F)F)c2)OC1(C)C 199688931 WWNRSKASAOECQU-UHFFFAOYSA-N 270.084 2.587 30 50 CFEA FC(F)(F)C(F)(F)CNCC(F)(F)C(F)(F)F 95671294 GFCAENPEZRYHBS-UHFFFAOYSA-N 281.093 2.971 30 50 CFEA CC(=O)N[C@H](c1ccc(F)cc1)c1ccc(C#N)cc1 85477097 HBDSWDUDNYFTMJ-INIZCTEOSA-N 268.291 2.923 30 50 CFEA in-vitro CC1(C)OB(c2ccccc2CN2CCCC2)OC1(C)C 169904423 BDUALGDDEAYXJF-UHFFFAOYSA-N 287.212 2.582 30 50 CFEA in-vitro C#CCN(C)CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 170611967 KTNVVLVIXVNRNE-HNNXBMFYSA-N 286.419 2.627 30 50 CFEA CN1CC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 1772575824 JMKYGZIHSWUORV-UHFFFAOYSA-N 299.223 2.705 30 50 CFEA C=C[C@@H](C)CC[C@H](OC(C)=O)C(C)(C)OC(C)=O 5354259 VMIOCHYFRQSIRR-MFKMUULPSA-N 256.342 2.862 30 50 CFEA O/C(Cc1csc(-c2ccccc2)n1)=N\c1ncn[nH]1 13692120 NQXRUPMAQZGESU-UHFFFAOYSA-N 285.332 2.759 30 50 CFEA CC1(C)OB(Cc2ccc(F)c([N+](=O)[O-])c2)OC1(C)C 170007989 OUBOEVQGQDUQKV-UHFFFAOYSA-N 281.092 2.908 30 50 CFEA N#Cc1ccc(C(=O)N2CCOC[C@H](C3CCC3)C2)s1 329233974 MKNBJFVTCVORFT-GFCCVEGCSA-N 290.388 2.508 30 50 CFEA O/C(N=c1cc[nH]cc1F)=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1 329444319 CCMSIKUHSXLJPQ-SDDRHHMPSA-N 277.343 2.937 30 50 CFEA Cc1csc(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 451009585 KRWHNLNFTKVCFJ-NSHDSACASA-N 298.433 2.759 30 50 CFEA Cc1ccccc1-c1nnn(CCCC(C)(C)C#N)n1 177138559 ASADAMLTPLMDPG-UHFFFAOYSA-N 269.352 2.979 30 50 CFEA Cc1cccc(C(=O)NC2(C#N)CCSCC2)c1C 162271192 BIOUFCADGFHOKN-UHFFFAOYSA-N 274.389 2.823 30 50 CFEA CC(C)c1ccc(C#N)c(N2CCN(CC3CC3)CC2)n1 670451844 IRARCIZAHLWYFZ-UHFFFAOYSA-N 284.407 2.609 30 50 CFEA CC[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 408474826 SFXCLGBJAKUDQS-HOTGVXAUSA-N 286.375 2.722 30 50 CFEA CCCN(CC#N)C(=O)C(C)(C)c1cccs1 170608812 DRGQFCBFUXFOQK-UHFFFAOYSA-N 250.367 2.788 30 50 CFEA CC#CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 764508180 RXGCATLBQNMUOD-SNVBAGLBSA-N 267.115 2.698 30 50 CFEA C=CCOc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 16489264 BKYJZCLSXTZDKB-BETUJISGSA-N 275.348 2.501 30 50 CFEA CCCc1nn2c(N)c(C#N)cnc2c1-c1ccc(F)cc1 16625774 QZICBEWWZFOBLW-UHFFFAOYSA-N 295.321 2.942 30 50 CFEA COc1ccc(/C=N/Nc2nccnc2Cl)cc1OC 5351083 XQFYUVRSVMLUOE-CAOOACKPSA-N 292.726 2.593 30 50 CFEA CCOc1ccc2c(C)nc(NC(=N)/N=C(/C)O)nc2c1 4611249 VMAZOTUYNFETOL-UHFFFAOYSA-N 287.323 2.660 30 50 CFEA N#Cc1cc(F)c(N[C@H]2CC[C@H](O)CC2)c(F)c1 252487623 ZQIPYBZVHSLLBQ-MGCOHNPYSA-N 252.264 2.552 30 50 CFEA C#CCCC1(CCC(=O)N2[C@H]3CCC[C@H]2CC3)N=N1 952881981 LAVYZYDGQFIUEQ-STQMWFEESA-N 259.353 2.886 30 50 CFEA CC1=CC(=NOC(=O)c2ccccc2)C=C(C)C1=O 457402 HVBOIPIUXVUOJU-UHFFFAOYSA-N 255.273 2.675 30 50 CFEA Cc1cccc(NC(=O)C[n+]2cn(C)c3ccccc32)c1C 2532600 DKDSHTMZAAUFDW-UHFFFAOYSA-O 294.378 2.721 30 50 CFEA COc1ccc2c(c1)[C@@H](c1ccccc1)[C@H](C=O)N2 101018736 NQDIUHFYUUWKBB-JKSUJKDBSA-N 253.301 2.820 30 50 CFEA COc1ccc(-n2cnnc2-c2cccc(C#N)c2)cc1 67650337 UGOMHERBHNQACI-UHFFFAOYSA-N 276.299 2.815 30 50 CFEA C=CCC(C(=O)OCC)(C(=O)OCC)c1ccccc1 39173233 UNVUUVYPBGPMGH-UHFFFAOYSA-N 276.332 2.627 30 50 CFEA C=CCn1c(-c2ccc3c(c2)OCO3)n[nH]c1=S 5624819 SISWGCCVSKAIFN-UHFFFAOYSA-N 261.306 2.522 30 50 CFEA C=CCNS(=O)(=O)c1ccc(OCCCC)c(C)c1 16624367 VRUSWVMLUXROBY-UHFFFAOYSA-N 283.393 2.638 30 50 CFEA FC(F)(F)c1nnc(S)n1/N=C/c1cccs1 2544715 QEPXMEYZBZEGAB-UUILKARUSA-N 278.284 2.529 30 50 CFEA FC(F)C(F)(F)C(F)(F)C(F)(F)COC[C@H]1CO1 2169409 NABHRPSATHTFNS-BYPYZUCNSA-N 288.134 2.573 30 50 CFEA in-vitro C=CC(=O)Nc1ccc(C(=O)N(CC)[C@@H](C#N)CC)cc1 1121161091 NBCNSWOYCBKRLE-CQSZACIVSA-N 285.347 2.575 30 50 CFEA C#CCCC1(CCC(=O)N2CCC[C@H](OC(C)C)C2)N=N1 952882094 LIYGEACTUNNQGZ-AWEZNQCLSA-N 291.395 2.758 30 50 CFEA O=C([C@@H]1CO1)N1CCc2sccc2[C@@H]1c1ccccc1 1875372870 OGBCNKHDRUGYRE-ZFWWWQNUSA-N 285.368 2.621 30 50 CFEA CC(C)Oc1ccc(C(=O)N2CCC[C@H]2C#N)cc1 700980946 LLPBDGFVOREHSF-ZDUSSCGKSA-N 258.321 2.602 30 50 CFEA C[Si](C)(C)C#Cc1cc([N+](=O)[O-])cc(F)c1N 1565504741 YATNZCLNXYRLCZ-UHFFFAOYSA-N 252.321 2.545 30 50 CFEA COc1cc2c(cc1-c1nc(C)c(C)cc1C#N)OCO2 2356164429 SHFNQHPETCJFED-UHFFFAOYSA-N 282.299 2.974 30 50 CFEA C=CCSc1nc2sc(C)c(C)c2c(=O)n1C 2694863 YTABRWAVVSFKCG-UHFFFAOYSA-N 266.391 2.890 30 50 CFEA C=CCCC(=O)Nc1ccc(Br)cn1 38140263 KOUUZUYYUKXXGU-UHFFFAOYSA-N 255.115 2.749 30 50 CFEA CC(C)=CC[C@@]1(CO)CCCN(c2cc(C#N)ccn2)C1 91985776 FXIBENHYQQEWLU-KRWDZBQOSA-N 285.391 2.888 30 50 CFEA Cc1cccc(CC2(Nc3nccnc3C#N)CC2)c1 534666160 OVPXIJQRKOSVNA-UHFFFAOYSA-N 264.332 2.844 30 50 CFEA CCC#CCN1CCC(CNC(=O)CC2CCCC2)CC1 952968013 JITUOUITSJZZEK-UHFFFAOYSA-N 290.451 2.808 30 50 CFEA CC#CC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 764633109 YBVLLVRJOXGHMP-MRXNPFEDSA-N 284.746 2.964 30 50 CFEA N#Cc1ccc(N2CCC[C@H]2CCc2ccccn2)nc1 1615614679 JAUGXIPVWPROFR-INIZCTEOSA-N 278.359 2.950 30 50 CFEA Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(F)cc1 367952 ZAXHAJYGMOBJSA-UFWORHAWSA-N 283.310 2.707 30 50 CFEA CC#CCCNC(=O)c1ccccc1Br 163333340 URLPOCFZFHOFNI-UHFFFAOYSA-N 266.138 2.592 30 50 CFEA CCOC[C@@H](NCc1cc(C#N)ccc1F)C(C)C 233733476 COISEVWVQQQTKV-OAHLLOKOSA-N 264.344 2.848 30 50 CFEA CC(C)c1cc(=O)n(Cc2cc(C#N)c(F)cc2F)cn1 1875282196 QYEVUGBYRWOSEW-UHFFFAOYSA-N 289.285 2.565 30 50 CFEA C=CC[n+]1c(-c2ccc(C=O)cc2)cn2ccccc21 337716 QHHJKNPLJSFGBE-UHFFFAOYSA-N 263.320 2.892 30 50 CFEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43O)[C@H]1CCC2=O 306121779 LIHCHNCKGJOZKD-IFCWYPFCSA-N 288.387 2.812 30 50 CFEA N#CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O 145949 VIMJXLQZTIMUHK-UHFFFAOYSA-N 285.303 2.788 30 50 CFEA COc1ccc(OCC#CCNC2CCCC2)cc1 2839832 KYZFTUBYMFUAPQ-UHFFFAOYSA-N 259.349 2.610 30 50 CFEA CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB(c3ccccc3)O[C@@H]1C2 195834065 OZQWJKOXOILFRR-ZIEJDFEHSA-N 256.154 2.622 30 50 CFEA Cc1cc(C(=O)N[C@]2(C#N)CC2(C)C)cc(C)c1F 291523371 YMCMBCVAKMZHMF-HNNXBMFYSA-N 260.312 2.865 30 50 CFEA C[C@@H](C#N)N(C(=O)c1cc(F)c(F)c(F)c1F)C1CC1 585113626 AHIBNOSBADTJCL-LURJTMIESA-N 286.228 2.760 30 50 CFEA CC#CCN[C@H](C)c1nc(-c2ccc(F)cc2)no1 328587364 HETDONUKGWSOQM-SNVBAGLBSA-N 259.284 2.550 30 50 CFEA C=C(CC)CNC(=O)c1ncccc1CSC 456815707 YZMJIZJNRNLTTR-UHFFFAOYSA-N 250.367 2.641 30 50 CFEA C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C#N 4666631 HQDNBULPEWJWRQ-GFCCVEGCSA-N 266.300 2.964 30 50 CFEA CCCCS/C(N)=N/N=C/c1ccccc1O 5597327 HUKIZSUOJDBGTC-NTEUORMPSA-N 251.355 2.574 30 50 CFEA C=C(C)C[C@H](C)C(=O)NCc1c(C2CCC2)cnn1C 585113746 AWOXNNAQPKSFPS-LBPRGKRZSA-N 275.396 2.906 30 50 CFEA C#CCCC1(CCC(=O)N[C@H](C=C)c2cscn2)N=N1 1875382243 VSHFGZPSIGFVQA-LLVKDONJSA-N 288.376 2.842 30 50 CFEA COc1ccccc1OCC(=O)Nc1ccc(CC#N)cc1 452341 HYGSTYZYHKKPFK-UHFFFAOYSA-N 296.326 2.779 30 50 CFEA CCOC(=O)[C@H](C)Sc1nc(C)c(C)cc1C#N 484439 DVKWTAFGJUVGES-JTQLQIEISA-N 264.350 2.614 30 50 CFEA N#C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)C[C@H]1c1ccccc1 293540844 KFGAHHCVWCKSEZ-DZUCGIPZSA-N 265.360 2.918 30 50 CFEA C=CCN(Cc1ccc(C)cc1)C(=O)[C@@H](N)CCSC 952960999 YJSFTFFNKZUNIM-HNNXBMFYSA-N 292.448 2.590 30 50 CFEA N#Cc1ccccc1NC(=O)Cc1ccccc1F 6728788 XOWVVPDBRXHCJQ-UHFFFAOYSA-N 254.264 2.879 30 50 CFEA COc1cccc(OCC#CCN2CCCCC2)c1 16622193 KEURILFJEGCKFI-UHFFFAOYSA-N 259.349 2.563 30 50 CFEA C=CCOc1cc(Br)c(C=O)cc1OC 2767453 AXHJQMLBUYKHLC-UHFFFAOYSA-N 271.110 2.835 30 50 CFEA C/C(=C\C(=O)N[C@@H](C#N)C1CC1)c1cccc(F)c1 171829499 VOFAIJSUHXUKNK-RNVIBTMRSA-N 258.296 2.647 30 50 CFEA CC(C)(C)O[C@H]1CCC[C@]2(C=O)OC(=O)CC[C@]12C 71786533 POIJIHKZSRMCOL-NILFDRSVSA-N 268.353 2.635 30 50 CFEA Cn1cc2c(n1)CCC[C@H]2Nc1ccc(C#N)cc1F 282359527 XGVDWVPGFFDZQC-CYBMUJFWSA-N 270.311 2.920 30 50 CFEA Oc1ccccc1C=Nn1c(S)nnc1-c1ccccc1 239229157 UUJUTEUHFBPDJR-UHFFFAOYSA-N 296.355 2.822 30 50 CFEA O=C(O)c1ccc(N/N=C/c2ccc3c(c2)OCO3)cc1 4036777 UQWKEMMXLQFRRL-LZYBPNLTSA-N 284.271 2.560 30 50 CFEA Cc1cc(C#N)c(NCC[C@H]2CCCOC2)nc1C 534583210 MUSBXPLLZVQMQN-CYBMUJFWSA-N 259.353 2.799 30 50 CFEA N#C[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 91616420 SSPSLRODWGHJMW-LBPRGKRZSA-N 272.323 2.619 30 50 CFEA [N-]=[N+]=CC(=O)/C(=C/c1ccccc1)Oc1ccccc1 4797946 FQKRFWFVKAGTEE-WJDWOHSUSA-N 264.284 2.976 30 50 CFEA C=CCN1CCN(C(=O)c2csc(C)c2CC)CC1 55060357 XFRZIPIGQWZDOS-UHFFFAOYSA-N 278.421 2.563 30 50 CFEA Cc1ccnc(C)c1N=C(O)c1cn(C(C)(C)C)nn1 331244122 QHTRZSREQCUZHM-UHFFFAOYSA-N 273.340 2.681 30 50 CFEA CC(C)Oc1cncc(/C(O)=N/[C@H](C)CC(C)(C)O)c1 331361007 YMWGXLKSCQTYSZ-LLVKDONJSA-N 280.368 2.723 30 50 CFEA C[C@@H](C#N)[C@]1(O)c2ccccc2CCc2ncccc21 252491918 LZNKDRZWHJIFMI-SJCJKPOMSA-N 264.328 2.576 30 50 CFEA COc1ccccc1CN[C@@H](C)CC1(C#N)CCOCC1 598894892 GUFVEXUJNZQWPI-AWEZNQCLSA-N 288.391 2.884 30 50 CFEA N#Cc1ccc(-c2nnc(CN[C@@H]3CCC[C@H]4C[C@H]43)o2)cc1 592182775 UUOJHBHLMJOIEP-RRFJBIMHSA-N 294.358 2.886 30 50 CFEA CC1(C)OB(C2=CC(=O)CC3(CCOCC3)C2)OC1(C)C 1857784866 QDUVDUMTWJMUQG-UHFFFAOYSA-N 292.184 2.704 30 50 CFEA N#CCc1ccc(NC(=O)Cc2ccccc2)cc1 37230 AKOIXQBFOLGHOJ-UHFFFAOYSA-N 250.301 2.934 30 50 CFEA CCc1cn[nH]c1[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 67842484 OLZPBLPQTCUQFL-OAHLLOKOSA-N 295.390 2.931 30 50 CFEA Cc1cc(C(=O)/C=C/c2ccnn2CC2CC2)cc(O)c1O 585136259 YHLCMKHVWMUTTI-SNAWJCMRSA-N 298.342 2.909 30 50 CFEA Cc1cccc(/C(N)=N/OC(=O)c2cccs2)c1 4170118 XRPVRHOSGACNPK-UHFFFAOYSA-N 260.318 2.534 30 50 CFEA CC[C@@H](C#N)C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 593735110 RFOAXPFRQLODJI-NTZNESFSSA-N 258.321 2.565 30 50 CFEA C#CCCC1(CCC(=O)N2CCCc3occc3C2)N=N1 888095951 GAZACCCHVNNLPC-UHFFFAOYSA-N 285.347 2.910 30 50 CFEA C=CC[C@@H](C(=O)NCc1n[nH]cc1C)c1ccccc1 1775987847 ZAAINUDVQLYRPH-CQSZACIVSA-N 269.348 2.694 30 50 CFEA C=CC(=O)N1CCCC[C@@H]1[C@@H](C#N)c1ccccc1 2325884443 WWOONGZCJCPBBF-LSDHHAIUSA-N 254.333 2.861 30 50 CFEA O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1O 444804 PLMQFSYKWPUFMJ-CYBMUJFWSA-N 285.259 2.551 30 50 CFEA C[Si](C)(C)c1ccc(CNc2cnc(C#N)cn2)cc1 225535614 AELJZORBBWRFOE-UHFFFAOYSA-N 282.423 2.506 30 50 CFEA CCCCn1cc(CNc2ccc(C#N)nc2)c(C)n1 358454181 AVFORVYUNJUBHO-UHFFFAOYSA-N 269.352 2.870 30 50 CFEA C[C@]1(NCCCC2(C#N)CCOCC2)CCO[C@@H]1C1CC1 366912896 NBTNZWWHEVWQMJ-CVEARBPZSA-N 292.423 2.634 30 50 CFEA C=CC1CCN(C(=O)CCc2ccccc2C(=O)O)CC1 262708402 BZPDHBLXYVHDHF-UHFFFAOYSA-N 287.359 2.742 30 50 CFEA Cc1nsc(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1C#N 286660083 YGLSOUNNWFOGNC-VXGBXAGGSA-N 279.409 2.557 30 50 CFEA CCc1n[nH]c(=S)n1/N=C(\C)c1ccc([N+](=O)[O-])cc1 5686822 PYXUWXXQNICFAJ-OVCLIPMQSA-N 291.336 2.684 30 50 CFEA C[C@@H]1C[C@@H]1N1C[C@@H](Nc2c(Cl)cccc2C#N)CC1=O 610283021 ZIRKRSCWNBUJBP-CDMKHQONSA-N 289.766 2.633 30 50 CFEA C#CCCC1(CCC(=O)N2CC(Cc3ccco3)C2)N=N1 952882607 WBJWVMCBJACCRT-UHFFFAOYSA-N 285.347 2.636 30 50 CFEA CC(C)(O)C#Cc1ccc(C(=O)NC2CCCCC2)s1 2857326 BQWSWGQMFURWRS-UHFFFAOYSA-N 291.416 2.933 30 50 CFEA N/C(=N\OC(=O)c1ccccc1Cl)c1ccccc1 4170067 ATXRRRCIHZTEEH-UHFFFAOYSA-N 274.707 2.817 30 50 CFEA CC[C@H](/N=C(/O)c1ccoc1C)[C@H](O)C(F)(F)F 330561084 IUQDGHFDHHOVCB-IUCAKERBSA-N 265.231 2.594 30 50 CFEA C[C@H]1CN(c2ccncc2C#N)Cc2ccccc2O1 366261842 MUKMNSPFCHVDIU-LBPRGKRZSA-N 265.316 2.741 30 50 CFEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 169903852 UUZLARBBTZODKC-UHFFFAOYSA-N 252.550 2.948 30 50 CFEA in-vitro CC[C@@]1(/C=N/O)CCN(C(=O)OC(C)(C)C)C[C@H]1F 1542053006 CVMQRCZJENWGDX-PMFQKGTDSA-N 274.336 2.822 30 50 CFEA CC1(C)OB(c2ccc(N)cc2C(F)(F)F)OC1(C)C 206183907 RUAYESOEOHUYSN-UHFFFAOYSA-N 287.090 2.587 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)C1=COCCC1 328610485 IAEXWCNMGMVOPB-DGCLKSJQSA-N 253.342 2.698 30 50 CFEA CC1(C)OB(c2cccc([C@@]3(C)CCO3)c2)OC1(C)C 1857781680 TTXGFXOYZPKBHC-MRXNPFEDSA-N 274.169 2.621 30 50 CFEA C#CCCC1(CCNC(=O)C[C@@H](C)c2ccncc2)N=N1 1875381562 ZNLPDWJJRCNNGV-CYBMUJFWSA-N 284.363 2.657 30 50 CFEA CCOC(=O)c1cccc(C#Cc2cccnc2OC)c1 1875303032 RZGASBGEAITQQZ-UHFFFAOYSA-N 281.311 2.667 30 50 CFEA Cc1[nH]nc(O)c1[C@H](c1ccccc1Cl)C(C#N)C#N 41185 QIQIZEGUIVEBEC-ZDUSSCGKSA-N 286.722 2.872 30 50 CFEA Cn1nc(C(F)(F)F)c(C#N)c1NCc1ccccc1 3052725 NSEODIDEUTWVEV-UHFFFAOYSA-N 280.253 2.923 30 50 CFEA C#C[C@](C)(CC)NC(=O)c1cc(-c2cccc(OC)c2)on1 4770928 WKYZPMSSGNNJQF-QGZVFWFLSA-N 298.342 2.882 30 50 CFEA CN1CCCC[C@@H]1CCn1cc(C#N)c(=O)c2ccccc21 284306370 RZSGPADVQPLSMY-OAHLLOKOSA-N 295.386 2.748 30 50 CFEA CN(Cc1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 248025480 GPXOLQYRGUENIZ-BZUAXINKSA-N 270.376 2.804 30 50 CFEA CCN1[C@H]2C=C(B3OC(C)(C)C(C)(C)O3)C[C@H]1CC2 261361484 TYZULRATUNKZQS-CHWSQXEVSA-N 263.190 2.801 30 50 CFEA CC[C@@H]1CN(c2nc(C(C)C)ccc2C#N)CCO1 670462964 VAQMVYHOEBDLTM-CYBMUJFWSA-N 259.353 2.692 30 50 CFEA C[C@@H](CC#N)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 585105570 DUMAHOBKUGONLZ-JKSUJKDBSA-N 299.418 2.659 30 50 CFEA N#Cc1ccc(OCCSc2ncccn2)cc1 16293840 RFTATYATHQCOLJ-UHFFFAOYSA-N 257.318 2.519 30 50 CFEA C=CCN(CC=C)C(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 11354979 ZQMIIKKRNDXTOB-HNNXBMFYSA-N 298.386 2.549 30 50 CFEA Cc1cc(O)c(C(=O)/C=C/c2ccccc2)c(=O)o1 13125162 QQNOPUCVSSJIIN-BQYQJAHWSA-N 256.257 2.550 30 50 CFEA biogenic N#CCCC(C#N)(CCC#N)c1nc2ccccc2[nH]1 2896184 OVHLHSPOZQURAF-UHFFFAOYSA-N 263.304 2.932 30 50 CFEA CCc1nn2c(N)c(C#N)cnc2c1-c1ccc(F)cc1 100132688 ZOYZOEUTJWHDLY-UHFFFAOYSA-N 281.294 2.552 30 50 CFEA CC1(C)OB(c2cccn2-c2ccccc2)OC1(C)C 170162447 VNVCVJBYXTXQRQ-UHFFFAOYSA-N 269.153 2.777 30 50 CFEA CC1(C)CC(=O)C(=CNCCc2ccccc2)C(=O)C1 100244533 MUGYSKZWRWQCTD-UHFFFAOYSA-N 271.360 2.661 30 50 CFEA CCCn1cc(-c2cc(C3CC3)nc(N)c2C#N)c(C)n1 67840852 UPEWHLYPMQUHBZ-UHFFFAOYSA-N 281.363 2.995 30 50 CFEA CC(C)(C#N)CNC(=O)Nc1cc(C(F)(F)F)ccn1 350717092 ZIYVRYNKBQGWJI-UHFFFAOYSA-N 286.257 2.772 30 50 CFEA N#CC1(N(C(=O)c2ccncc2Cl)C2CC2)CCC1 328876279 KBJHVZADKRGFMD-UHFFFAOYSA-N 275.739 2.786 30 50 CFEA CC(C)(C)OC(=O)N1CCC[C@@]2(C=CC(=O)C2)C1 1536221878 OQASDNWAOBMNEK-AWEZNQCLSA-N 251.326 2.533 30 50 CFEA CC1(C)OB(c2ccc(N3CCCC3)cc2F)OC1(C)C 255190520 XTHXFGPNMCESCV-UHFFFAOYSA-N 291.175 2.725 30 50 CFEA Cc1c(F)ccc(F)c1B1OC(C)(C)C(C)(C)O1 169794725 UDPBNEWJKRXZKS-UHFFFAOYSA-N 254.085 2.572 30 50 CFEA in-vitro CC(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 196826886 LSMVUNSQZOHKJB-UHFFFAOYSA-N 262.158 2.773 30 50 CFEA in-vitro Cc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 94365 ZCEQOHNBFVBUNC-LFIBNONCSA-N 288.372 2.616 30 50 CFEA N#Cc1ccc(OC[C@@H]2CC3CCN2CC3)c(F)c1 1857704788 GGTXZQUAAOZWMI-ZDUSSCGKSA-N 260.312 2.560 30 50 CFEA O=C(C[n+]1ccc(-c2cccs2)nc1)Nc1ccccc1 2529446 BKHQYFYOFWPCLG-UHFFFAOYSA-O 296.375 2.736 30 50 CFEA CC(C)c1ccc(C#N)c(N(C)C[C@@H]2CCCN2C)n1 670466686 PRCUUIFLPVYNLX-AWEZNQCLSA-N 272.396 2.607 30 50 CFEA COc1ccc([C@@H](NCC#N)C(F)(F)F)cc1F 408514457 IVEZAEPUGKKESA-SNVBAGLBSA-N 262.206 2.551 30 50 CFEA C[C@@H]1C[C@@H](CN2CCC(C#N)(c3ccccn3)CC2)CCO1 548791956 ZNITUJDVWZBBPT-CVEARBPZSA-N 299.418 2.754 30 50 CFEA CC1(C)OB(c2cc(F)nc(C(F)(F)F)c2)OC1(C)C 199759696 KHMFQIHEKLSQCH-UHFFFAOYSA-N 291.053 2.539 30 50 CFEA in-vitro C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1sccc1C 281881805 TZACXGYNRKHKKS-TZMCWYRMSA-N 294.420 2.837 30 50 CFEA O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccccc2)c1 33836940 ONIXGLAWYZPDPB-NTEUORMPSA-N 257.249 2.746 30 50 CFEA CC(C)(C)[C@@](C)(C#N)NC(=O)CC1CC(F)(F)C1 332052727 NQWLUASTNVDFDQ-GFCCVEGCSA-N 258.312 2.866 30 50 CFEA CCN(CC)[C@@H](C)CNc1nc2c(cc1C#N)CCC2 298741639 SOCPZYOGRVWVPB-LBPRGKRZSA-N 272.396 2.584 30 50 CFEA C#CC[C@H](NC(=O)N1C[C@@H](C)OC[C@@H]1C)c1ccccc1 272558094 JDXAOAZFRZFQJX-LZWOXQAQSA-N 286.375 2.570 30 50 CFEA N#CCNc1cnc2cc(Cl)c(Cl)cc2n1 170610871 NIUDKKHDRGABSE-UHFFFAOYSA-N 253.092 2.872 30 50 CFEA C[Si](C)(C)c1ccc(CN2CCC(C#N)CC2)cc1 225676022 HRMCDDQEJMNHKW-UHFFFAOYSA-N 272.468 2.967 30 50 CFEA C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](C)C1 5092565 AZBPRTGHNOEGDK-RDJZCZTQSA-N 289.419 2.887 30 50 CFEA Cc1cc(C)c(C#N)c(N[C@@H](C)c2nnc3n2CCCC3)n1 368108142 IRCOUKXVEQTHSD-LBPRGKRZSA-N 296.378 2.671 30 50 CFEA Cc1nc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)n[nH]1 1775987782 IQHISGPIEAATOW-ZUZCIYMTSA-N 281.363 2.713 30 50 CFEA Cc1ccsc1CN(C)C(=O)c1ccc(C#N)nc1 71764112 CUOPABINCBSJTK-UHFFFAOYSA-N 271.345 2.595 30 50 CFEA N#Cc1ccc(-c2n[nH]cc2CN2CCCCC2)cc1 2325789754 KWJPBRJVKSMJQU-UHFFFAOYSA-N 266.348 2.934 30 50 CFEA N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCOCC1 192220 SATUJOOSXXTTEF-UHFFFAOYSA-N 289.722 2.703 30 50 CFEA O=C(C[C@@]1(O)OC(c2ccccc2)=CC1=O)c1ccccc1 218562 KDTHYVPVPSPOSY-GOSISDBHSA-N 294.306 2.588 30 50 CFEA COc1cc(OC)c(NC(=S)C#N)cc1Cl 398673 XMPKAAGZEYHMRZ-UHFFFAOYSA-N 256.714 2.620 30 50 CFEA C=CCN1C[C@@H](c2nc3ccccc3n2CC=C)CC1=O 4385973 BKWMVPISPDRUQS-ZDUSSCGKSA-N 281.359 2.724 30 50 CFEA C[C@](O)(C#Cc1ccccc1)[C@](C)(O)C#Cc1ccccc1 25757954 JDLOQXQSHZJRFJ-BGYRXZFFSA-N 290.362 2.592 30 50 CFEA COc1ccc(C)cc1C/C(O)=N/[C@@H]1CCc2c[nH]nc2C1 329886479 WDFMYBMPPGTLAW-CQSZACIVSA-N 299.374 2.783 30 50 CFEA C=CC[C@@H](CC)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 282101117 ZFVAARACDOILIK-CYBMUJFWSA-N 299.378 2.958 30 50 CFEA CCC#CCN1CCC[C@H](CNC(=O)CC2CCCC2)C1 952975093 RROCNQKGIYOTBW-QGZVFWFLSA-N 290.451 2.808 30 50 CFEA O=[N+]([O-])c1ccc(/C=N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1587645 YWEOYAUKSPQBMW-KAVGSWPWSA-N 298.258 2.956 30 50 CFEA Cc1c(Cl)cccc1NC(=O)CSCC#N 1806654 JVYDXZIHRJAUAZ-UHFFFAOYSA-N 254.742 2.844 30 50 CFEA C=CCc1cccc(Cl)c1OCCN1CCOCC1 20652698 GRJOEKLNAUEXQH-UHFFFAOYSA-N 281.783 2.780 30 50 CFEA Cc1ccc(C(=O)/C=C(\O)C(=O)Nc2nccs2)cc1 100838691 UDYPYPBKIULXMV-WQLSENKSSA-N 288.328 2.715 30 50 CFEA Cc1nc(C/N=C(/O)C[C@@H]2CCOC2)sc1C 329794222 GBECNKHGFZJDTG-JTQLQIEISA-N 254.355 2.643 30 50 CFEA N#Cc1cccnc1N1CCC[C@H]1c1nc2c([nH]1)CCCC2 275386726 AJTLNUFWHSTFFO-HNNXBMFYSA-N 293.374 2.897 30 50 CFEA CC1(C)OB(c2cc(Br)cs2)OC1(C)C 169746550 XOLVNUOSAPZSLF-UHFFFAOYSA-N 289.003 2.810 30 50 CFEA in-vitro CC#CC(=O)N(Cc1cccnc1)Cc1ccccc1C 764423874 MTIGNBIFUWFJEA-UHFFFAOYSA-N 278.355 2.942 30 50 CFEA Cc1cc(/C(O)=N/C[C@@H]2CCn3ccnc3C2)c(C)o1 328617257 COFGMYRNEHNTMT-GFCCVEGCSA-N 273.336 2.660 30 50 CFEA C=CC[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1ccc(C(=O)O)o1 1875270619 MHFBNUXOKPTGNW-FZILPYPWSA-N 289.331 2.852 30 50 CFEA O=C([C@@H]1CO1)N1CCc2sccc2[C@H]1c1ccccc1 1875372867 OGBCNKHDRUGYRE-DZGCQCFKSA-N 285.368 2.621 30 50 CFEA C=CCOC(=O)N1CCC(=O)C[C@H]1c1ccccc1 2523063 BRTKJCVSHCSFAZ-AWEZNQCLSA-N 259.305 2.715 30 50 CFEA O/N=C1/N[C@H](/C=C/c2ccccc2)Nc2ccccc21 4964257 FMOSHFOTHALXFD-AUECHBEKSA-N 265.316 2.877 30 50 CFEA CCCCCCCOc1ccc(C(=O)NCC(=O)O)cc1 100064825 LSABJRVELOBTBE-UHFFFAOYSA-N 293.363 2.850 30 50 CFEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CC[C@H](COC)C1)C2 102774457 JWBCRQBDINGLPP-GRDNDAEWSA-N 277.408 2.864 30 50 CFEA CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC1(CO1)C2 1535640715 URSUJPSNMYNVKO-QWRGUYRKSA-N 253.342 2.707 30 50 CFEA CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1CCCc2cccnc21 252500949 UACHFEBZZDZHAS-DYVFJYSZSA-N 285.391 2.946 30 50 CFEA C=CCC[C@H](/N=C(/O)[C@H]1CCCCC(O)=N1)C(=O)OCC 328599933 UNGONGPBOLRWIV-NEPJUHHUSA-N 296.367 2.740 30 50 CFEA N#Cc1cccc(C#N)c1N1CCC[C@H](c2ccncn2)C1 375520667 FKQJOESCKJTSGN-HNNXBMFYSA-N 289.342 2.604 30 50 CFEA CC(C)[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1N(C)C 1565529908 WSRCBHDYEQVQKB-SJORKVTESA-N 271.408 2.576 30 50 CFEA CO[C@]1(C)C[C@@H](N(C)c2cccc(C#N)n2)C1(C)C 270031921 HDQCBXFZVQBJLB-IUODEOHRSA-N 259.353 2.593 30 50 CFEA CNc1ccc(Cl)c(/C(O)=N/C[C@@H]2CCCO2)c1 330655127 TUKAOFWPDHDFNV-JTQLQIEISA-N 268.744 2.865 30 50 CFEA CCOC1CNC(=NCc2ccc(C)c3ccccc23)NC1 1875348932 HLFXGJAUHRNGQI-UHFFFAOYSA-N 297.402 2.602 30 50 CFEA C#CC[C@H](OC(C)=O)c1ccccc1[C@H](CC#C)OC(C)=O 2519004 GHEVBJNUBWNGLV-ROUUACIJSA-N 298.338 2.942 30 50 CFEA Cc1ccccc1[C@](C#N)(CCCNCCO)C(C)C 4528931 NQJKFFJFFQCTJS-KRWDZBQOSA-N 274.408 2.775 30 50 CFEA C=CCN1CC[C@H](N2CC[C@H](c3ccc(CC)cc3)C2)C1=O 433083201 OAWLYYYIQCSWME-ROUUACIJSA-N 298.430 2.825 30 50 CFEA CC#CC(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 283225846 OKWDWLFZQAEGRZ-QMTHXVAHSA-N 265.740 2.556 30 50 CFEA O/C(C[C@H]1CCOC1)=N/Cc1ccc2c(c1)OCCCO2 329803668 ZRTBIWUNHBCDFY-CYBMUJFWSA-N 291.347 2.731 30 50 CFEA CC1(C)OB(c2cccc3cnccc23)OC1(C)C 211235350 NYVHLWGQZOHXCV-UHFFFAOYSA-N 255.126 2.534 30 50 CFEA CCn1nccc1/C=C/C(=O)c1ccc(CN(C)C)cc1 585086281 GLTGJHQUWIROMM-MDZDMXLPSA-N 283.375 2.861 30 50 CFEA C/N=C(/NC[C@H](C)c1nc(C)cs1)N1CCCCC1 1615831945 YMEAGFGMJALAFE-NSHDSACASA-N 280.441 2.616 30 50 CFEA C=CCN(Cc1ccsc1)C(=O)Cc1cccnc1 1506396851 MFRHKIBQZJRWDL-UHFFFAOYSA-N 272.373 2.900 30 50 CFEA C=CCC1(C(=O)Nc2cccc(C(=O)O)c2)CCOCC1 425241458 ANUAAUWJFDDJLV-UHFFFAOYSA-N 289.331 2.696 30 50 CFEA C=CC[C@@]1(CO)CCCN(Cc2snnc2C(C)C)C1 91755114 AILRBGQPECNRHO-OAHLLOKOSA-N 295.452 2.812 30 50 CFEA N#Cc1c(C2CC2)cc(C(F)(F)F)c(C#N)c1N 468116 VTLZLHNOFRLOOW-UHFFFAOYSA-N 251.211 2.908 30 50 CFEA CCCn1nc(C)c(CN=c2cc(C)c(C#N)c(C)[nH]2)c1C 2356145907 XJERKOOGUCSLKG-UHFFFAOYSA-N 297.406 2.827 30 50 CFEA Cc1c(CN2CCC3(CCCC3)C2)cc(C#N)n1C 93336609 SMQVXOIVMXLVNH-UHFFFAOYSA-N 257.381 2.971 30 50 CFEA Cc1oc(C#N)cc1C(=O)Nc1ccnn1[C@H](C)C1CC1 619550452 DSKAFLKUIBFDAY-SECBINFHSA-N 284.319 2.880 30 50 CFEA CCSc1cccnc1C(=O)N[C@H](C#N)C(C)(C)C 410876787 MWGDFGAMFQUFFP-LLVKDONJSA-N 277.393 2.862 30 50 CFEA C/C(=N\N1CCN(c2ccccc2)CC1)c1ccccc1O 13126718 VGPNSVINCKOLHJ-XDJHFCHBSA-N 295.386 2.938 30 50 CFEA CC1(C)OB(c2ccc3[nH]ccc3c2F)OC1(C)C 203567471 REHTYXFUXRZYKP-UHFFFAOYSA-N 261.105 2.606 30 50 CFEA N#CC1(Cn2cc(Br)c([N+](=O)[O-])n2)CCCC1 405150805 DVIGNKSIVXYXBR-UHFFFAOYSA-N 299.128 2.638 30 50 CFEA N#Cc1c2c(c(-c3ccccc3)[nH]c1=O)CCCC2 8772684 FEVDPUCGQBSYBW-UHFFFAOYSA-N 250.301 2.792 30 50 CFEA Cc1cnc([C@H](NC(=O)CC(C)(C)C#N)C2CC2)s1 225591444 NZBQZYYXHYLFGS-GFCCVEGCSA-N 277.393 2.959 30 50 CFEA CC1(C)OB(c2cn[nH]c2-c2ccc(F)cc2)OC1(C)C 170004782 CEUBDDLZUQGTKD-UHFFFAOYSA-N 288.131 2.515 30 50 CFEA CNC(=O)/C(=N\OC)c1ccccc1Oc1ccccc1 38810687 HIIRDDUVRXCDBN-SDXDJHTJSA-N 284.315 2.575 30 50 CFEA C=CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)N(C)C 43199068 FIATUWHWTOJPRQ-SMDDNHRTSA-N 292.335 2.646 30 50 CFEA CNc1ccc(C#N)cc1NC(=O)c1ccccc1[N+](=O)[O-] 170619900 YSQJNINAIVDZIV-UHFFFAOYSA-N 296.286 2.760 30 50 CFEA COc1ccc(Oc2ncccc2C#N)cc1[N+](=O)[O-] 232311307 IUYJBCVOEFYVDB-UHFFFAOYSA-N 271.232 2.662 30 50 CFEA COc1ccccc1NC(=O)COc1ccc(C#N)cc1 471533 VRPXCCAEQDUHER-UHFFFAOYSA-N 282.299 2.584 30 50 CFEA C/C(=C\B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 309745500 XMCOIFVZERGLKA-MDZDMXLPSA-N 268.162 2.906 30 50 CFEA N#C[C@@H]1CC[C@H](NC[C@H](c2ccco2)N2CCCC2)C1 442632252 ZYEBFQMOABMMNW-QLFBSQMISA-N 273.380 2.698 30 50 CFEA CC(C)(C)OC(=O)N1CCCC[C@@H]1C1(C=O)CC1 1535976105 HYWLOWDMYGHYJE-LLVKDONJSA-N 253.342 2.755 30 50 CFEA C=CC[C@]1(C(=O)O)CCCN(C(=O)c2sccc2C)C1 91548249 ISIPSQGILJPJPP-HNNXBMFYSA-N 293.388 2.940 30 50 CFEA C=CCc1ccc2c(c1O)C(=O)c1ccccc1C2=O 5225287 IMUBGIOLZQTIGI-UHFFFAOYSA-N 264.280 2.896 30 50 CFEA in-vitro CCC(=O)N=C(Nc1ccccc1)Nc1nc(C)cc(C)n1 18173527 KWXCVZUKECCZND-UHFFFAOYSA-N 297.362 2.910 30 50 CFEA CC(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169965092 NHIQIMZJZLXMDB-UHFFFAOYSA-N 274.169 2.825 30 50 CFEA CCOC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 203920950 KGLWVQMLYWKGEW-UHFFFAOYSA-N 291.156 2.554 30 50 CFEA C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])o1 4955544 NSHXSONGROCLKM-MDWZMJQESA-N 290.235 2.932 30 50 CFEA C=CCn1c(SCC(=O)OC)nnc1C1CCCCC1 6726094 BXECMNVZJZIUAQ-UHFFFAOYSA-N 295.408 2.777 30 50 CFEA N#CCC1(CS(=O)(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CC1 253429184 MIAJIHZHJKRJGM-ZIAGYGMSSA-N 296.436 2.568 30 50 CFEA CC(/C=C/c1ccccc1)=NNc1n[nH]c(=S)[nH]1 254616288 MOLRGHSEWGUZHE-ZOGOLRRHSA-N 259.338 2.968 30 50 CFEA CC#CC(=O)NCCSc1c(C)[nH]c2ccccc12 1640847536 ZPUATILJUXUDIN-UHFFFAOYSA-N 272.373 2.708 30 50 CFEA Cc1ccc(/C(N)=N/OC(=O)COc2ccccc2C)cc1 4318680 NNMDOTQNJMDTPP-UHFFFAOYSA-N 298.342 2.546 30 50 CFEA CC#CCNC(=O)[C@H](c1cccnc1)C1CCCCC1 585131714 DVEXACBPRCMDRS-INIZCTEOSA-N 270.376 2.885 30 50 CFEA C[C@H]1CN(C)C(=NCc2ccc3ccccc3c2)N1 2325771428 PVOZATPVSIKUIA-LBPRGKRZSA-N 253.349 2.619 30 50 CFEA COc1cc([C@@H]2CC(=O)C=C(O)C2)cc(OC)c1OC 100741646 ABEYUAPZLMUNMU-VIFPVBQESA-N 278.304 2.601 30 50 CFEA COCOc1ccc(CB2OC(C)(C)C(C)(C)O2)cc1 309771367 RCIAXKIYNGWBOH-UHFFFAOYSA-N 278.157 2.843 30 50 CFEA CCC#CCN1CC=C(c2cnn(-c3ccccn3)c2)CC1 65369719 MPMJTXARNJFZNX-UHFFFAOYSA-N 292.386 2.770 30 50 CFEA CC(=O)c1ccc(C(=O)O[C@@H]2CCC[C@H]2C#N)cc1 408518799 BDYURISGVXGKLL-UONOGXRCSA-N 257.289 2.738 30 50 CFEA CC(=O)/N=C1/NC(=O)/C(=C\c2c(C)[nH]c3ccccc23)S1 1201354 GLBJDZWMQFJDHB-NTUHNPAUSA-N 299.355 2.583 30 50 CFEA N#Cc1nc(/C=C/c2ccccc2)oc1N1CCOCC1 5027920 ZJOADEDSOMENEG-VOTSOKGWSA-N 281.315 2.553 30 50 CFEA CCN1C(=O)CS/C1=N\[C@H](C)Cc1ccccc1 15938142 BNLAJLJVTJJWBR-PHIZWAGYSA-N 262.378 2.569 30 50 CFEA N#Cc1cnc(N[C@@H]2CCCN(c3ccccc3F)C2)cn1 128655171 OLJVVXDPUPDXQK-GFCCVEGCSA-N 297.337 2.568 30 50 CFEA Cc1nccn1CCCN(C)Cc1ccccc1C#N 136311947 XCFXKCLMUAVSIL-UHFFFAOYSA-N 268.364 2.585 30 50 CFEA Cc1ccc(CCS(=O)(=O)OCC(C)(C)C)cc1 2172399 AYRRMZYCMPCFLQ-UHFFFAOYSA-N 270.394 2.930 30 50 CFEA Cc1c(/N=C\c2cccnc2)c(=O)n(-c2ccccc2)n1C 100503392 AWVOIPJLUITJBA-UNOMPAQXSA-N 292.342 2.630 30 50 CFEA Cc1nsc(N[C@H]2C[C@H](C)n3ccnc32)c1C#N 333759919 ZMXDSGIJTHZHAZ-XVKPBYJWSA-N 259.338 2.638 30 50 CFEA Cc1csc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)c1C#N 333816508 IBAMGBBFRXZEDK-CKYFFXLPSA-N 276.361 2.824 30 50 CFEA Oc1cccc(C=Nn2c(S)nnc2-c2ccccc2)c1 245254046 YTDCANSRQNUQRX-UHFFFAOYSA-N 296.355 2.822 30 50 CFEA Cc1ccc(OCC[N+]2C(=O)C(=NO)c3ccccc32)cc1 343516882 HZHLVDDIUGFOQJ-UHFFFAOYSA-N 296.326 2.564 30 50 CFEA Cc1nc(/N=C\N(C)C)sc1C(=O)Nc1ccccc1 13154145 YUCOSNPWCIXKKP-DHDCSXOGSA-N 288.376 2.925 30 50 CFEA N#Cc1ccc(CSc2nc3c(c(=O)[nH]2)CCCC3)cc1 8830976 GGLKEJUACHWTQN-UHFFFAOYSA-N 297.383 2.813 30 50 CFEA C=C1[C@@H](NC(=O)c2cnc3[nH]cncc2-3)C[C@H]2C[C@@H]1C2(C)C 1875297400 OJHSRCDUZWPBFD-SWHYSGLUSA-N 296.374 2.630 30 50 CFEA N#Cc1ccc(F)cc1NCc1cn2c(n1)CCCC2 1875279665 WZOXSUTWBXXHLO-UHFFFAOYSA-N 270.311 2.842 30 50 CFEA C#CCN1CCC(CCN=c2cc[nH]c3ccccc23)CC1 1875387915 FCVZUSTZZHZXFO-UHFFFAOYSA-N 293.414 2.804 30 50 CFEA CCOC(=O)C1=C(Nc2ccccc2CC)SCC1=O 8702657 ZIEOANQOXZMSII-UHFFFAOYSA-N 291.372 2.752 30 50 CFEA CC(C)NC=C1C(=O)CC(c2ccccc2)CC1=O 100566467 XYUOKOBCKZIRRH-UHFFFAOYSA-N 257.333 2.584 30 50 CFEA C=CCN(Cc1ccc(C)s1)C(=O)c1cc(N)ccn1 55325578 XHQMIJWEJZSACJ-UHFFFAOYSA-N 287.388 2.862 30 50 CFEA O=C1NC2=C(C(=O)CCC2)[C@@H](c2ccccc2Cl)N1 67320 PBGRVHDYNFGNCB-CYBMUJFWSA-N 276.723 2.701 30 50 CFEA CC[C@@H](C#C[C@](C)(O)CCC=C(C)C)OC(C)=O 3882080 JRIMDRYHZVUHQU-LSDHHAIUSA-N 252.354 2.829 30 50 CFEA C=C(C)[C@H](NC(=O)N[C@H](CC)CO)c1ccc(F)c(F)c1 185452835 ANSCLGLKFQLWEA-RISCZKNCSA-N 298.333 2.652 30 50 CFEA C[C@@H](CN(C)Cc1ccc(C#N)cc1)CN1CCCC1 1529187540 UXIYLALHUSJFRH-HNNXBMFYSA-N 271.408 2.722 30 50 CFEA CC1(C)OB(c2cccc3scnc23)OC1(C)C 203568861 ZDYAYCZYNMMQMJ-UHFFFAOYSA-N 261.155 2.596 30 50 CFEA in-vitro N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C#N 1847485 PZIVXXORSILYOQ-UHFFFAOYSA-N 252.064 2.575 30 50 CFEA in-vitro O=CC1(c2cccc(C(F)(F)F)c2)CCOCC1 12359748 DTPGZXZHZSJJBT-UHFFFAOYSA-N 258.239 2.953 30 50 CFEA CCc1ccc(C#CC(=O)NCCCc2ccncc2)cc1 2325784146 DBNNHZJWMUQCMJ-UHFFFAOYSA-N 292.382 2.745 30 50 CFEA O=[N+]([O-])c1cccc(N/N=C/c2ccc3c(c2)OCO3)c1 4947974 HTDIIBSQICWATK-OVCLIPMQSA-N 285.259 2.770 30 50 CFEA C=C(C)COc1cccc(NC(=O)N[C@@H]2CCOC2)c1 178678340 FQJZBYLKMWIDOF-CYBMUJFWSA-N 276.336 2.552 30 50 CFEA C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H](C#N)C(C)(C)C 252675867 VIDVOJKMZSIJMZ-FRRDWIJNSA-N 266.385 2.636 30 50 CFEA C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)n1cnc2ccccc21 267953476 CANDXBKKNPTQFI-BXUZGUMPSA-N 284.363 2.652 30 50 CFEA COc1ccccc1NC(=O)c1ccc(C#N)cc1F 4867971 XLOBEQVOIDIQCV-UHFFFAOYSA-N 270.263 2.958 30 50 CFEA Fc1cccc(/C=N/NC(=S)NC2CCCCC2)c1 4209463 VEOGDKSIIZLOPG-MHWRWJLKSA-N 279.384 2.956 30 50 CFEA N#Cc1cccc(CN2CCO[C@H]3CCCC[C@H]32)c1 230251105 KLYFALREGDUHSA-CVEARBPZSA-N 256.349 2.702 30 50 CFEA CC1(C)C[C@H]1C(=O)N1CCCN(c2ccc(C#N)cc2)CC1 370976145 LCDCVQZIZLXGDA-INIZCTEOSA-N 297.402 2.643 30 50 CFEA CC(C)(C)OC(=O)/C=C\B1OC(C)(C)C(C)(C)O1 1857784405 VGOGTGKRQNVRIU-HJWRWDBZSA-N 254.135 2.516 30 50 CFEA CC1(C)CCc2nnc(-c3cccc(C#N)c3)n2C1 952883233 YCZJRNMAYFAWEV-UHFFFAOYSA-N 252.321 2.789 30 50 CFEA C[C@@H]1CC[C@@H]2CNC(=NC[C@H]3CCC34CCC4)N2C1 2325864231 JPUNPXWAERMZPY-MGPQQGTHSA-N 261.413 2.626 30 50 CFEA CCc1cc(F)cc(F)c1B1OC(C)(C)C(C)(C)O1 2325904008 BSLSZDVCANJEAX-UHFFFAOYSA-N 268.112 2.826 30 50 CFEA C#CCOc1cc(CNC(=O)C2=CCCCC2)ccc1OC 225460515 UKSYJZOYVOSURB-UHFFFAOYSA-N 299.370 2.824 30 50 CFEA C=CCN(CC=C)CCOc1ccccc1C(=O)OC 20272404 AIXTWKKXFIVZCN-UHFFFAOYSA-N 275.348 2.526 30 50 CFEA COC1=C(OC)[C@]2(C=CC1=O)CC(C)(C)N=C2SC 1428658 WOVWHRHYMSSYPE-AWEZNQCLSA-N 281.377 2.560 30 50 CFEA O=[N+]([O-])c1cccc(/C=N/Nc2nc3ccccc3[nH]2)c1O 38169203 VHMQWIUCGJAVDL-OVCLIPMQSA-N 297.274 2.623 30 50 CFEA C=C(C)CNC(=O)Nc1ccc(Oc2ncccn2)cc1 156834601 CBEZHBIPPUISKQ-UHFFFAOYSA-N 284.319 2.967 30 50 CFEA Cc1c(CN(C)C[C@@H]2Cc3ccccc3O2)cc(C#N)n1C 670440536 VXZMZOYHWHZVFJ-KRWDZBQOSA-N 295.386 2.641 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1Cc1ccccc1C 11881953 USMKVCQZPPRHAE-MRXNPFEDSA-N 272.392 2.652 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)N[C@H](C)c1ccco1 328616594 BUYWJVHWEAPDNS-YRGRVCCFSA-N 280.368 2.905 30 50 CFEA O=C([C@H]1CO1)N(Cc1ccccc1)C1CCCCC1 1875372369 DSYGUPZRMBUFRZ-OAHLLOKOSA-N 259.349 2.747 30 50 CFEA O=C([C@H]1CO1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 1875372393 FCJIOJMAPGZQOA-VXGBXAGGSA-N 285.265 2.768 30 50 CFEA C/C(=N\Nc1nc(N)cc(Cl)n1)c1ccc(F)cc1 4595703 FCBUSFHNSPOGGE-CNHKJKLMSA-N 279.706 2.687 30 50 CFEA Cc1ccc(N2CCN(/N=C/c3ccco3)CC2)cc1 72834 ADTRSMXQXJQVGZ-GHRIWEEISA-N 269.348 2.744 30 50 CFEA COc1cccc(/C=N/c2ccc(C(=O)O)cc2)c1O 485005 QTOZSIXNWQLBEJ-CXUHLZMHSA-N 271.272 2.850 30 50 CFEA CCOC(=O)c1c(S)nc(N)c(C#N)c1-c1ccccc1 16361998 UFSYQOSRTQJRNC-UHFFFAOYSA-N 299.355 2.668 30 50 CFEA O=C(C[n+]1csc2ccccc21)c1ccc([N+](=O)[O-])cc1 5904102 AZHSBQQPAHOBCG-UHFFFAOYSA-N 299.331 2.980 30 50 CFEA Cn1ncc(C2CC2)c1/C=C/C(=O)c1cccc2c1OCO2 864087827 YWEZZKVSGWUNRZ-BQYQJAHWSA-N 296.326 2.922 30 50 CFEA C=CCn1cc(CNCCc2ccccc2OC)c(C)n1 55393236 OXYXHFYQDNCDSX-UHFFFAOYSA-N 285.391 2.718 30 50 CFEA CCCNC(=O)c1cccc(CNC2CCC(C#N)CC2)c1 600850221 QVHGETGAKIVLTK-UHFFFAOYSA-N 299.418 2.998 30 50 CFEA Cc1cscc1N/C(O)=N/C[C@@H]1CCn2ccnc2C1 328615395 AVOFTHYQKITWNO-LLVKDONJSA-N 290.392 2.842 30 50 CFEA N#CC1(N(C(=O)c2ccc(Cl)cn2)C2CC2)CCC1 328901875 ZQEBDADPQFSBDH-UHFFFAOYSA-N 275.739 2.786 30 50 CFEA COc1ccc(/C=[N+](/[O-])Cc2ccccc2)cc1[N+](=O)[O-] 137768424 KZSRDEYLRPYUQL-LFIBNONCSA-N 286.287 2.733 30 50 CFEA C#Cc1ccc(CNCc2c(C)nn(C)c2Cl)cc1 585118211 HAGDDOIDIWWPBB-UHFFFAOYSA-N 273.767 2.653 30 50 CFEA CN([C@@H]1CCC[C@H]1C(C)(C)C)S(=O)(=O)CC1(C#N)CC1 332000526 ZYIBIRTYDAGMEN-CHWSQXEVSA-N 298.452 2.767 30 50 CFEA CC1(C)OB(c2ccc(O)cc2C(F)(F)F)OC1(C)C 169746747 BDBDHVQVHJGEJL-UHFFFAOYSA-N 288.074 2.710 30 50 CFEA C=CC(=O)N1CCCC[C@H]1[C@@H](C#N)c1ccccc1 2325884441 WWOONGZCJCPBBF-GJZGRUSLSA-N 254.333 2.861 30 50 CFEA COc1ccc(O[C@H](C)C(=O)Nc2ccccc2C#N)cc1 514287 GULRAWGKFGVHCU-GFCCVEGCSA-N 296.326 2.973 30 50 CFEA COc1ccc(/C=N\n2c(C)nc3ccccc3c2=O)cc1 4951594 RGBOVXWSXCIOLZ-WQRHYEAKSA-N 293.326 2.596 30 50 CFEA CC1(C)OB(c2cccc(N3CCCCC3)c2)OC1(C)C 169743705 IIUXWPXCCXVCPD-UHFFFAOYSA-N 287.212 2.976 30 50 CFEA in-vitro Cn1cc(CN2CC[C@]3(C2)OCc2ccccc23)cc1C#N 191503676 UKMUPCSPSBKKEF-GOSISDBHSA-N 293.370 2.528 30 50 CFEA C[C@@H]1OCCC[C@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2 191942207 RWGLWTKCBIFMTL-SMDDNHRTSA-N 299.374 2.586 30 50 CFEA CC(C)c1ccc(/C=C/C(O)=N/c2nn[nH]n2)cc1 7009302 OUQJUQDRHRVMFL-VMPITWQZSA-N 257.297 2.625 30 50 CFEA CCc1nc(SCc2cccc(C)c2)[nH]c(=O)c1C#N 5238885 XOOVCQRZROHJIA-UHFFFAOYSA-N 285.372 2.805 30 50 CFEA CCn1c(NC(=O)c2ccncc2)nc2cc(C#N)ccc21 132189443 WKLPYJQIRXNONZ-UHFFFAOYSA-N 291.314 2.575 30 50 CFEA N#Cc1cccc(Oc2ccc(CO)cc2)c1C#N 85224406 OCNLKRIYTJEXPX-UHFFFAOYSA-N 250.257 2.715 30 50 CFEA N#CCC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 184902848 MTZBAORWXXLPJP-UHFFFAOYSA-N 296.208 2.608 30 50 CFEA Cc1ccc(/C=N/N2CCN(c3ccccc3)CC2)o1 73121 CWSPSOQGJBZDTP-GHRIWEEISA-N 269.348 2.744 30 50 CFEA Sc1nnc(-c2cccnc2)n1/N=C/c1cccs1 1254430 JYRFGKPZJHNYFQ-RIYZIHGNSA-N 287.373 2.573 30 50 CFEA CCOc1cc(C#N)cc(Br)c1OC 5953416 CFCAZYRKZVCXAK-UHFFFAOYSA-N 256.099 2.728 30 50 CFEA N#Cc1c(N)nc2c(c1-c1ccc([N+](=O)[O-])cc1)CCC2 19608458 XPZFGEYFZNPLBS-UHFFFAOYSA-N 280.287 2.599 30 50 CFEA CC#CC(=O)N[C@H](CCN1CCCCC1)c1ccccc1 1875378805 KHGXTHRBTNWWFY-QGZVFWFLSA-N 284.403 2.743 30 50 CFEA C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccsc1 534578529 OSEVOVMYLLRTKH-SNVBAGLBSA-N 263.366 2.754 30 50 CFEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(O)c1Cl 170006357 OYOGECYSTMVIEB-UHFFFAOYSA-N 268.549 2.653 30 50 CFEA C=CCn1cc(CN2CCOC3(CCCC3)C2)c(C)n1 216140523 VRGAUQQPIRLVJI-UHFFFAOYSA-N 275.396 2.523 30 50 CFEA C[C@H]1CN/C(=N/Cc2cccc(OCc3ccccc3)c2)N1 261552362 RFMHYINWFBGGPA-AWEZNQCLSA-N 295.386 2.703 30 50 CFEA Cc1noc(C)c1[C@H](C)CNc1cc(C#N)ccn1 283771061 OSBLBJMUDFTMRX-SECBINFHSA-N 256.309 2.774 30 50 CFEA CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCc2ccccc21 241132764 JLNAKOUQJGPVQC-WMZOPIPTSA-N 299.418 2.660 30 50 CFEA N#CCSCC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 241701778 QLAGZCDLQPMFKF-JSGCOSHPSA-N 292.379 2.835 30 50 CFEA Cc1ccc2nccc(C(=O)N3CCC[C@H](C#N)C3)c2c1 220312489 COGUYVNHRHFZES-CYBMUJFWSA-N 279.343 2.919 30 50 CFEA N#C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(F)s1 598091317 BXRQIYYYOOEXSI-BDAKNGLRSA-N 252.314 2.699 30 50 CFEA C=C(C)C(C)(C)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 424838058 UVMSHKDUSGLYTH-CQSZACIVSA-N 299.374 2.535 30 50 CFEA CC(O)=Nc1ccn([C@@H]2CCN(Cc3cccs3)C2)n1 328640547 XLDPKIFKSJLZLE-GFCCVEGCSA-N 290.392 3.000 30 50 CFEA Cc1ccc([C@H]2CCN(c3cnc(C#N)cn3)C2)c(C)c1 253428724 DTXPVZANLCIAAW-AWEZNQCLSA-N 278.359 2.959 30 50 CFEA C#CCCC1(CCC(=O)N2C[C@H](C)OC3(CCC3)C2)N=N1 952883213 SBWNIBKWYDVIAU-ZDUSSCGKSA-N 289.379 2.512 30 50 CFEA Cc1nc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)n[nH]1 1775987780 IQHISGPIEAATOW-BONVTDFDSA-N 281.363 2.713 30 50 CFEA C=CCn1cc(CNCc2cc(CC(C)C)on2)c(C)n1 55370090 NTYNJJJVOMLYAC-UHFFFAOYSA-N 288.395 2.854 30 50 CFEA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[N+](C)(C)C 25626201 ILQRAXINCJFNAQ-MCIONIFRSA-N 256.410 2.697 30 50 CFEA N#C/C(=N\Nc1cccc(F)c1)C(=N)N1CCCCCC1 77640 TXVKMIKESSPRPB-SXXHWBMRSA-N 287.342 2.970 30 50 CFEA CC1=NO[C@H](/C(O)=N/C2(c3cccc(C#N)c3)CC2)C1 328596934 BQDTXBJKOAFZFM-ZDUSSCGKSA-N 269.304 2.669 30 50 CFEA C=CCC[C@@H](CN(C)CC)Oc1ccnc(OC)c1C#N 72470537 AQQHBQYFYLQGOL-ZDUSSCGKSA-N 289.379 2.627 30 50 CFEA COc1ccccc1O[C@@H](C)CNc1ccc(C#N)nc1 267412009 RVZPSYGBBDHIBS-LBPRGKRZSA-N 283.331 2.841 30 50 CFEA CCOC(=O)[C@@H](C=O)Cc1ccc(Cl)c(Cl)c1 261361151 RUJWFRYEVOTNCD-SECBINFHSA-N 275.131 2.914 30 50 CFEA C[C@H](C#N)CN[C@@H]1CC[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 1365567330 CLAQMLLVLQHHSJ-ZOBORPQBSA-N 293.411 2.524 30 50 CFEA C[C@@]1(C/N=C(/O)c2ncccc2C(F)(F)F)CCOC1 330647004 UYMJGMOFXLEHRT-LBPRGKRZSA-N 288.269 2.832 30 50 CFEA C=C[C@@](C)(O)CC(=O)NCC(C)(C)c1ccc(F)cc1 253420008 SZXNRERBYZDRNW-MRXNPFEDSA-N 279.355 2.547 30 50 CFEA C=C1[C@H](NC(=O)c2cnc3[nH]cncc2-3)C[C@H]2C[C@@H]1C2(C)C 1875297399 OJHSRCDUZWPBFD-DDTOSNHZSA-N 296.374 2.630 30 50 CFEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2ccc(C#N)cc2)C1 888103005 ZDXCQKRKQTZQQW-CVEARBPZSA-N 296.374 2.865 30 50 CFEA C=CCOc1ccccc1NC(=O)c1ccncc1 9815695 QTKUOMGZBNNTAK-UHFFFAOYSA-N 254.289 2.899 30 50 CFEA Cc1ccnc(NC[C@H]2CCN(Cc3ccc(C#N)o3)C2)c1 371371187 ASYMMQCGLYDMIG-CQSZACIVSA-N 296.374 2.789 30 50 CFEA CC(C)(C)OC(=O)N[C@H](CC=O)Cc1ccccc1 34369877 BIUYWIKFGQHAFZ-CYBMUJFWSA-N 263.337 2.711 30 50 CFEA O=C1C2=C(c3ccccc31)N(O)[C@@H]1CCCCC[C@@H]1[N+]2=O 334157337 OJPODJARNMHHDK-OLZOCXBDSA-N 285.323 2.737 30 50 CFEA C#CC(CC)(CC)NS(=O)(=O)c1ccc(Cl)cc1 6742493 JSFLMFQVTVDPNA-UHFFFAOYSA-N 285.796 2.810 30 50 CFEA CC1(C)OB(c2cccc(F)c2Cl)OC1(C)C 169747321 XZKUFCKSUHVAEK-UHFFFAOYSA-N 256.513 2.778 30 50 CFEA CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cn1 122888215 BBNJONYDDAVLOT-UHFFFAOYSA-N 284.294 2.756 30 50 CFEA CC(C)(C)OC(=O)NC1(C=O)CC(C(C)(C)C)C1 1857787229 RTQLTZMROYPMJG-UHFFFAOYSA-N 255.358 2.905 30 50 CFEA N#CC(C#N)(OC(=O)c1ccccc1)c1ccccc1 155200 ZVSMJEBFSMHOPE-UHFFFAOYSA-N 262.268 2.786 30 50 CFEA C#CCOc1ccc(C(=O)N(C)c2ccccc2)cc1 6747229 JHMZVFMMRHMBGU-UHFFFAOYSA-N 265.312 2.975 30 50 CFEA CCC[C@]1(CO)CCN(CCCC2(C#N)CCOCC2)C1 367370468 LMACRWSOUITMBQ-KRWDZBQOSA-N 294.439 2.571 30 50 CFEA CO[C@@H](C)c1cccc(-c2cnc3c(C#N)cnn3c2)c1 96164475 HVOCHHHDXBXICE-NSHDSACASA-N 278.315 2.975 30 50 CFEA Cc1cc(C)nc(CN(C)Cc2cc(C#N)n(C)c2)c1 670458643 VWHQBPNTRXUUHR-UHFFFAOYSA-N 268.364 2.541 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1[C@H](O)CC 585127417 ZTUGJBCLURHORW-MELADBBJSA-N 253.386 2.741 30 50 CFEA CCCCCCCNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102714550 QMFWWRKULSMUSH-XUXIUFHCSA-N 279.380 2.596 30 50 CFEA COc1ccc(C(=O)O/N=C2\C=C(C)C(=O)C=C2C)cc1 4746940 KQNBSUTUFMUULE-SAPNQHFASA-N 285.299 2.683 30 50 CFEA Cc1cc(=N[C@H]2CCN(c3ccccc3F)C2)c(C#N)c[nH]1 425271097 UQMGCPWEGZBWQF-AWEZNQCLSA-N 296.349 2.514 30 50 CFEA Cn1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)cn1 334722182 VOQUZEIILWIXOM-MRXNPFEDSA-N 294.358 2.659 30 50 CFEA C=C(C)C[C@@H](C)C(=O)NCc1nnc2c(Cl)cccn12 585128088 RMEGLURMKKANGV-SNVBAGLBSA-N 292.770 2.601 30 50 CFEA CC#CC(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 801163645 XJXFHDVNMOUEDW-KRWDZBQOSA-N 285.387 2.568 30 50 CFEA COc1ccc(C2(C#N)CCC(=O)CC2)cc1OC 197805 DGEFSVRXOCLHAY-UHFFFAOYSA-N 259.305 2.608 30 50 CFEA N#C[C@H](C(=O)NCc1ccccc1)c1ccccc1 555223 KGDCFWIWCUAHQW-HNNXBMFYSA-N 250.301 2.610 30 50 CFEA C#CCOc1ccc(C(=O)NCc2ccccc2)cc1 6744606 KQIMDXUTKADCQZ-UHFFFAOYSA-N 265.312 2.629 30 50 CFEA N#Cc1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1 3048358 AUANTQFRJVDWBC-UHFFFAOYSA-N 272.617 2.811 30 50 CFEA C(=C(/B1OCCNCCO1)c1ccccc1)\c1ccccc1 197009590 VMCNVUTVKBCQKB-OBGWFSINSA-N 293.175 2.891 30 50 CFEA N#Cc1cccnc1N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 91411284 GBHMSZOUDBGLJK-NVXWUHKLSA-N 296.418 2.654 30 50 CFEA O=C1C(Cl)=C(Cl)[C@H]2[C@@H]1[C@H]1C=C(Cl)[C@@]2(Cl)C1=O 254615966 RDFNEVSQEPGJFK-GAHAJIPNSA-N 297.952 2.804 30 50 CFEA CCN(CC)Cc1cc(CC#N)c2cccnc2c1O 252485136 GNYRYZLOMPBFKD-UHFFFAOYSA-N 269.348 2.848 30 50 CFEA CC1(C)OB(c2ccc3nscc3c2)OC1(C)C 203976863 HOLSSEGFCIOQOI-UHFFFAOYSA-N 261.155 2.596 30 50 CFEA Cc1cccc([C@]2(C(=O)N=C3C[C@@H](C)ON3)CC2(F)F)c1 1875330495 ZVGWSWJNZICLAM-YGRLFVJLSA-N 294.301 2.510 30 50 CFEA Cc1onc(-c2ccccc2Cl)c1C(=O)NCC#N 2745079 PMRVDIRBGLTEMN-UHFFFAOYSA-N 275.695 2.557 30 50 CFEA C=CCn1cc(CN[C@@H](C)Cc2ncccc2C)c(C)n1 55575629 JROKBLJSMCUZRL-AWEZNQCLSA-N 284.407 2.802 30 50 CFEA C=CCNc1ccccc1C(=O)NC[C@]1(C)CCCO1 67723903 ZODHGZARLONFQG-INIZCTEOSA-N 274.364 2.583 30 50 CFEA CC(O)=Nc1ccn([C@H]2CCN([C@H](C)c3ccccn3)C2)n1 328617209 CLVVUEUENNUNJG-OCCSQVGLSA-N 299.378 2.894 30 50 CFEA Cc1nnc(NCCC[C@@H]2CCCC[C@@H]2O)c(C#N)c1C 154505646 ZKQVWEJLJVTDIE-ZFWWWQNUSA-N 288.395 2.708 30 50 CFEA CCc1nc(-c2ccc(C(C)(C)C#N)cc2)nn1C 426651989 MLKVTNJAYQYFRO-UHFFFAOYSA-N 254.337 2.846 30 50 CFEA C[C@@H]1C2=C([C@H]3CC[C@H]2C3)[C@H](C)[C@@H]2C(=O)C=CC(=O)[C@H]12 254351671 MFWXBRNFSDCQBU-SSAJBHFSSA-N 256.345 2.939 30 50 CFEA COCCOc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cn1 185868359 RDRLOGZJLOXWHC-CHWSQXEVSA-N 275.352 2.601 30 50 CFEA C=CCCC(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 14976574 PSQPWTNZZYIGNK-HNNXBMFYSA-N 290.382 2.873 30 50 CFEA O=C([C@@H]1CO1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 1875373103 UCTCJFKRYNHJQA-ROUUACIJSA-N 293.366 2.754 30 50 CFEA C[C@@]1(C#N)CCCN(C(=O)c2cncc(Cl)c2)C1 590705808 LMQAEZXORQYOJG-ZDUSSCGKSA-N 263.728 2.501 30 50 CFEA COc1ccc(NC(=O)C#Cc2ccccc2)cc1 6741573 LDVRUGKDDZWJJO-UHFFFAOYSA-N 251.285 2.685 30 50 CFEA COc1ccc(C(=O)[C@@H]2O[C@H]2c2ccc3c(c2)OCO3)cc1 6793513 DHDKPIIJDRSEOK-IRXDYDNUSA-N 298.294 2.747 30 50 CFEA COc1ccc2c(c1)[C@H](c1ccccc1)[C@H](C=O)N2 101018730 NQDIUHFYUUWKBB-HOTGVXAUSA-N 253.301 2.820 30 50 CFEA N#CCC(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 456565417 CUDJNARHTYNHAR-SVRRBLITSA-N 288.191 2.632 30 50 CFEA O=C1C=C[C@@H](O)O[C@H]1c1ccc(-c2ccccc2)cc1 71772348 YQKGLCAKZGUEOB-IRXDYDNUSA-N 266.296 2.869 30 50 CFEA O=C(O)CCCCCC#CCO[C@@H]1CCCCO1 45074634 BNWVOWGHORIPKA-AWEZNQCLSA-N 254.326 2.568 30 50 CFEA C[Si](C)(C)C#Cc1cc(C(F)(F)F)cnc1N 169794084 KLSNMJYIWORYMD-UHFFFAOYSA-N 258.319 2.912 30 50 CFEA in-vitro C#CCOc1ccc(CNC(=O)OC(C)(C)C)cc1 214490575 PIGAXXGRAFGNBK-UHFFFAOYSA-N 261.321 2.723 30 50 CFEA in-vitro C#Cc1ccc(/C=N/Nc2nc(-c3ccncc3)no2)cc1 1875263030 BFSMWNFQOJXMMU-WOJGMQOQSA-N 289.298 2.559 30 50 CFEA N#Cc1ccc(N2CCC[C@H]2c2ccc(N)nn2)cc1Cl 886086733 ZKMWBBYDJYLXMU-AWEZNQCLSA-N 299.765 2.925 30 50 CFEA C#Cc1c[nH]nc1C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325812326 JIHJHSYYULXZMP-MQMHXKEQSA-N 299.761 2.720 30 50 CFEA CC(Nc1ccncc1)=C1C(=O)CC(C)(C)CC1=O 446927 JYYLBFGOTKKZIC-UHFFFAOYSA-N 258.321 2.726 30 50 CFEA COc1ccc(C(=O)/C=C(/O)C(=O)Nc2ccccc2)cc1 100339733 UBTHBUQWHDBSCI-LFIBNONCSA-N 297.310 2.959 30 50 CFEA CSc1ccc(C#N)c(I)c1 170591035 CMQUHMLWJSHKOS-UHFFFAOYSA-N 275.114 2.885 30 50 CFEA C=C/C(O)=N/C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 328600148 WACZDKPYOLRERK-SCZZXKLOSA-N 251.248 2.613 30 50 CFEA O=C1C2=C(c3ccccc31)N(O)[C@H]1CCCCC[C@H]1[N+]2=O 334157338 OJPODJARNMHHDK-QWHCGFSZSA-N 285.323 2.737 30 50 CFEA C=C(Br)CN[C@@H](C)c1cccc(O)c1 162210104 WMSPXHQCMCWPKS-VIFPVBQESA-N 256.143 2.951 30 50 CFEA COc1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 169745163 CVPMKYBFBINSHI-UHFFFAOYSA-N 268.549 2.648 30 50 CFEA C=CCn1c(COc2ccc(OC)cc2)n[nH]c1=S 5484306 QRETVRFAPFWBRB-UHFFFAOYSA-N 277.349 2.714 30 50 CFEA in-vitro N#Cc1ccc(NC(=O)CSc2ccccn2)cc1 51074 VFZKOIHFXLRELS-UHFFFAOYSA-N 269.329 2.684 30 50 CFEA N#C[C@H](NC(=O)c1cn[nH]c1)c1ccc(Cl)c(Cl)c1 109290814 GZXRZKCQBHQIRO-NSHDSACASA-N 295.129 2.711 30 50 CFEA C#CC1(NC(=O)c2cccc(Cl)n2)CCCCC1 4109885 VCAAACAHXWOJQT-UHFFFAOYSA-N 262.740 2.801 30 50 CFEA CCc1cnc(CC/N=C(/O)C[C@@H]2CCOC2)s1 329787055 YIAZNWQLWOFILQ-JTQLQIEISA-N 268.382 2.631 30 50 CFEA C#CCOc1cccc(Oc2ncnc3onc(C)c23)c1 240333637 FENMLJBMWUBSBY-UHFFFAOYSA-N 281.271 2.731 30 50 CFEA O=C(CN1C=C/C(=C2/C=CC=[S+]2)N=C1)c1ccc(F)cc1 328579876 IGBNUSPLRCNNAM-JQIJEIRASA-N 299.350 2.532 30 50 CFEA N#Cc1cc(C(=O)O)c(C(F)F)cc1Br 263622788 AXLMYOHTLIMWNN-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA Cc1nnc(NCCc2cccc([N+](=O)[O-])c2)c(C#N)c1C 270203214 DWPJOKGCPSUXFR-UHFFFAOYSA-N 297.318 2.528 30 50 CFEA C#Cc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 222030613 MDFZGUQWAMSLBL-UHFFFAOYSA-N 271.341 2.777 30 50 CFEA O=C(OCC(F)F)OC(C(F)(F)F)C(F)(F)F 169795633 DBCLLYRHWWDVNJ-UHFFFAOYSA-N 276.079 2.898 30 50 CFEA S=C(N/N=C/c1cccs1)NC1CCCCC1 3264116 JOPFNKJXTOZORD-UKTHLTGXSA-N 267.423 2.879 30 50 CFEA Cc1c(F)ccc(B2OC(C)(C)C(C)(C)O2)c1F 238791310 HDAKNAMXPKYUCU-UHFFFAOYSA-N 254.085 2.572 30 50 CFEA in-vitro C=CC1(CC(=O)Nc2ncc(OC)cn2)CCCCC1 905062764 OVJPQXSCWOASQC-UHFFFAOYSA-N 275.352 2.950 30 50 CFEA C#CCCC1(CCC(=O)N2CCC[C@@H](CCF)C2)N=N1 952883839 XVXDBDPSGSLUPD-ZDUSSCGKSA-N 279.359 2.940 30 50 CFEA CN1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 119645444 DMSPRCJZKAPZEI-UHFFFAOYSA-N 291.398 2.973 30 50 CFEA CCN(C(=O)Nc1cccc(C#N)c1)C1CCN(C)CC1 600863800 PPIXPKYLRZSSGY-UHFFFAOYSA-N 286.379 2.506 30 50 CFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccoc1CC 281230930 FBMXULBHNVEZRS-RISCZKNCSA-N 263.337 2.553 30 50 CFEA Cc1nnsc1CN1CCC(C#N)(c2ccccc2)CC1 244735147 NTMAQKHCLJLOEJ-UHFFFAOYSA-N 298.415 2.904 30 50 CFEA S=c1[nH]ncn1/N=C/c1ccc(Br)cc1 18119517 BPJDVCYIMVDSFB-LFYBBSHMSA-N 283.154 2.585 30 50 CFEA CC1(C)C[C@@H]1C(=O)N1CCCN(c2ccc(C#N)cc2)CC1 370976146 LCDCVQZIZLXGDA-MRXNPFEDSA-N 297.402 2.643 30 50 CFEA CC#CC(=O)N(C)C[C@@H](OC(C)C)c1ccccc1 1875379664 TXHXBTNGHAPVFA-OAHLLOKOSA-N 259.349 2.634 30 50 CFEA Cc1c(OC(F)F)cccc1B1OC(C)(C)C(C)(C)O1 2325903876 QHWWREDEHWMEAG-UHFFFAOYSA-N 284.111 2.896 30 50 CFEA COc1ccccc1OCC#CCN1CCC[C@H](C)C1 2862889 NZWKOGWKHDUWSL-HNNXBMFYSA-N 273.376 2.809 30 50 CFEA C=C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 113866126 RRVVAMBFQCFXLM-UHFFFAOYSA-N 256.088 2.813 30 50 CFEA COc1cc(O)ccc1/C=C/C(=O)c1ccc(N)cc1 22864728 GTYJFYYDHLXILQ-WEVVVXLNSA-N 269.300 2.879 30 50 CFEA CC(O)=Nc1ccn([C@@H]2CCN([C@@H](C)c3ccccn3)C2)n1 328617207 CLVVUEUENNUNJG-GXTWGEPZSA-N 299.378 2.894 30 50 CFEA C[C@H](C#N)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 222274852 LHODGJJDTNAYBO-GHMZBOCLSA-N 279.409 2.726 30 50 CFEA CN(C)c1nnc(SCc2ccc(C#N)s2)s1 408522025 BVMTWUWDBKDJID-UHFFFAOYSA-N 282.419 2.830 30 50 CFEA C#CCN(C(=O)c1cc(Cl)nc(Cl)c1C)C1CC1 1875369432 NWFMXKRZCIPMQE-UHFFFAOYSA-N 283.158 2.935 30 50 CFEA CC1=NN(c2nc(-c3ccc(C#N)cc3)cs2)C(=O)C1 313187 YVUXPVOWSUJDJC-UHFFFAOYSA-N 282.328 2.794 30 50 CFEA CC(C)N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 9481126 DUTRKAJZZKCUHT-UHFFFAOYSA-N 299.399 2.731 30 50 CFEA Cc1ccc(S(=O)(=O)OCC2CC(F)(F)C2)cc1 118597254 BCKQZBURCGQHFI-UHFFFAOYSA-N 276.304 2.746 30 50 CFEA C[C@@H]1CCO[C@@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 366630669 YVLCTXNJRIZOLB-DYVFJYSZSA-N 296.370 2.599 30 50 CFEA CC#CC(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1 283225842 OKWDWLFZQAEGRZ-HZMBPMFUSA-N 265.740 2.556 30 50 CFEA C=C(C)[C@H]1CC=C(CN2CCN(c3ncccn3)CC2)CC1 12379170 XTNULXYPACVNRD-KRWDZBQOSA-N 298.434 2.901 30 50 CFEA OCC#C[C@@H](O)c1sc(Cl)c(Cl)c1Cl 2298160 DTGHGPPRGYTKCF-SCSAIBSYSA-N 271.552 2.737 30 50 CFEA C=CCOc1c(Br)cc(C=O)cc1OC 2764253 NYCZXYRKJNJTDT-UHFFFAOYSA-N 271.110 2.835 30 50 CFEA CN(C)CCNc1oc(-c2ccccc2Cl)nc1C#N 4263771 IHLQDZBCTVIYMS-UHFFFAOYSA-N 290.754 2.840 30 50 CFEA N/C(=N\C(=O)c1cccc(F)c1)Nc1nc2ccccc2o1 4822103 AQOIVVXTEVNQAI-UHFFFAOYSA-N 298.277 2.534 30 50 CFEA C=CCN(Cc1ccc(O)c(C(=O)O)c1)Cc1ccco1 55568947 AURCSTCKNXYSGP-UHFFFAOYSA-N 287.315 2.872 30 50 CFEA N#Cc1ccnc(NC[C@H](O)c2ccc(Cl)c(F)c2)c1 408516234 QILWLYGPIVNDQU-ZDUSSCGKSA-N 291.713 2.891 30 50 CFEA CCSc1cccnc1C(=O)N(C)[C@@H](C#N)CC 594085262 VWMIOYAYOBVQFG-SNVBAGLBSA-N 263.366 2.568 30 50 CFEA C=CCOc1c(Cl)cc(CNCCN(C)C)cc1OC 19872397 YQENYWGFALEDRS-UHFFFAOYSA-N 298.814 2.565 30 50 CFEA CCCCCCCCNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239403034 RKZPKXHTMXUNHG-BYNSBNAKSA-N 293.407 2.986 30 50 CFEA C=CC(=O)N1CCC([C@H](C#N)c2ccccc2)CC1 1776005591 KVQIDPXMMVMWAR-OAHLLOKOSA-N 254.333 2.718 30 50 CFEA N#Cc1ccccc1Oc1cc(OCC2CC2)ncn1 2325805986 KDDBOTVOUOZMFX-UHFFFAOYSA-N 267.288 2.929 30 50 CFEA N#Cc1cccc2[nH]cc(-c3ccc4nncn4c3)c12 2325824041 MXYPPDNDZVXVJQ-UHFFFAOYSA-N 259.272 2.749 30 50 CFEA C=CCn1cc(CN(C)CCC[C@H]2CCCO2)c(C)n1 55198968 PXSCLPAXTMSGFT-INIZCTEOSA-N 277.412 2.769 30 50 CFEA C#CCCCOC(=O)c1ccc(CN2CCCC2)cc1 225785109 YFSOLNVKTTVHJL-UHFFFAOYSA-N 271.360 2.853 30 50 CFEA C=CCc1ccc(C(=O)N[C@@H]2CCN(CCC)C2)cc1 218551580 KIIAUJWALROYOP-MRXNPFEDSA-N 272.392 2.629 30 50 CFEA CC#CC(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 283920720 YGFVNKVIGZBZLK-GJZGRUSLSA-N 275.323 2.528 30 50 CFEA CC1(C)OB(c2cnc(-c3ccccc3)o2)OC1(C)C 197085991 GCXGGBPVNCGMHW-UHFFFAOYSA-N 271.125 2.641 30 50 CFEA CC(C)(C)OC(=O)N[C@@H](CC=O)Cc1ccc(F)cc1 149533240 GUDDDSNJWUHLAN-ZDUSSCGKSA-N 281.327 2.851 30 50 CFEA CCOC(=O)c1cc(F)c(C#N)cc1Br 263624243 OPQZJNUZFCHCAI-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA C#CCOc1ccc(C(=O)c2ccc(C=O)cc2)cc1 685965960 ZBICYSNRNBRDBB-UHFFFAOYSA-N 264.280 2.742 30 50 CFEA Cc1ccccc1C[C@@H]1S/C(=N/c2ccccn2)NC1=O 16768104 SWRIKFZATZDDQY-ZDUSSCGKSA-N 297.383 2.852 30 50 CFEA Nc1sc2ccccc2[n+]1CC(=O)c1ccccc1 3123689 BJQYEBKFFSGPHX-UHFFFAOYSA-O 269.349 2.654 30 50 CFEA C=C1C=C[C@H]2C[C@@]1(C)CN2S(=O)(=O)c1ccccc1 101042916 HLNFFHFBPOFRJT-ZFWWWQNUSA-N 275.373 2.582 30 50 CFEA N#Cc1cnn2c(N)c(-c3ccc(Cl)cc3)cnc12 2508393 VTMCCXXROGZXEZ-UHFFFAOYSA-N 269.695 2.504 30 50 CFEA N#Cc1ccnc(Br)c1C(F)(F)F 219011584 ZDEAXPFKXRFNRW-UHFFFAOYSA-N 251.005 2.735 30 50 CFEA C=CCOC(=O)N1CCC(=O)C[C@@H]1c1ccccc1 86016308 BRTKJCVSHCSFAZ-CQSZACIVSA-N 259.305 2.715 30 50 CFEA Cc1noc([C@@H]2CCCN(c3c(C#N)cccc3C#N)C2)n1 302471316 UHWYDJXTSNZQNX-CQSZACIVSA-N 293.330 2.505 30 50 CFEA C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H](C2CC2)O1 408522516 AQYUKUHEOJIJBH-GMSGAONNSA-N 283.784 2.672 30 50 CFEA N#CCCCCNC(=O)Nc1cc(C(F)(F)F)ccn1 192422699 TXCYZGVUMNQFGD-UHFFFAOYSA-N 286.257 2.916 30 50 CFEA Cc1nn(C[C@H](C#N)CCC#N)c(C)c1Br 152165478 IWALUPZKZAXSAS-JTQLQIEISA-N 281.157 2.706 30 50 CFEA O=C(C[n+]1ccc2ccccc2c1)c1ccccc1O 5905638 DKINUIJEFSRENR-UHFFFAOYSA-O 264.304 2.716 30 50 CFEA CCOc1ccccc1OCC#CCN1CCCC1 16622120 TURIUOZURHKDRS-UHFFFAOYSA-N 259.349 2.563 30 50 CFEA CC(C)CN(C(=O)N1CCCC1)c1ccc(C#N)cn1 2325798189 UNBTVYCJGKDQMC-UHFFFAOYSA-N 272.352 2.631 30 50 CFEA Cc1nnc(C)n1/N=C/c1ccc(Br)cc1 295303 RSRQMLJQQXUGCT-NTUHNPAUSA-N 279.141 2.540 30 50 CFEA C=C(C)COc1ccc(C(=O)NCc2ccccn2)cc1 6715967 MCKPXTZQRTUXSQ-UHFFFAOYSA-N 282.343 2.967 30 50 CFEA CC[C@@H](C)N(C(=O)c1cc(C#N)cn1C)[C@H](C)CC 119593836 IEJAKQWYAHQCGJ-VXGBXAGGSA-N 261.369 2.936 30 50 CFEA CC(O)=Nc1ccn([C@H]2CCN(c3cccc(C)n3)C2)n1 328608679 AYCCXVNSVVOFQD-ZDUSSCGKSA-N 285.351 2.646 30 50 CFEA Cc1c(Br)c(C#N)nn1Cc1ccccc1 85224190 UFINPHAPQHXREE-UHFFFAOYSA-N 276.137 2.874 30 50 CFEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)c2sccc2C)C1 91548246 ISIPSQGILJPJPP-OAHLLOKOSA-N 293.388 2.940 30 50 CFEA N#C[C@H]1CCC[C@H](Nc2cnn(Cc3ccccn3)c2)C1 193110504 BHRRIPVPTMZONU-KBPBESRZSA-N 281.363 2.821 30 50 CFEA Cc1cnn([C@H]2CCN(Cc3ccc(CC#N)cc3)C2)c1 352389967 ATPWYJFZBXWDCT-KRWDZBQOSA-N 280.375 2.705 30 50 CFEA C#CCN(Cc1ccccc1)C[C@H]1CC2(CCCC2)C(=O)O1 2325899803 XZGREARUZRCFBK-QGZVFWFLSA-N 297.398 2.998 30 50 CFEA C=CCn1c([C@H](CC)CC(C)(C)O)n[nH]c1=S 1256227 XTNUQFPJPWKBNJ-SECBINFHSA-N 255.387 2.781 30 50 CFEA C#CCC1(OC(=O)c2ccc(-n3cncn3)c(C)c2)CCC1 225691743 DVCPUHZMALQXAC-UHFFFAOYSA-N 295.342 2.679 30 50 CFEA C=CCNc1ccccc1C(=O)NC[C@@]1(C)CCCO1 67723897 ZODHGZARLONFQG-MRXNPFEDSA-N 274.364 2.583 30 50 CFEA CCC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)s1 170005718 AREMFYNSNUHZGE-UHFFFAOYSA-N 280.198 2.948 30 50 CFEA COC(=O)CN=C(c1ccccc1)c1ccccc1 4293509 PQTOLHHWLUCKSB-UHFFFAOYSA-N 253.301 2.697 30 50 CFEA biogenic,in-vitro Cc1cc(C)c(C#N)c(N2CCC[C@H](c3nc(C)no3)C2)n1 264800895 CKGIFQSJIUNTOF-ZDUSSCGKSA-N 297.362 2.646 30 50 CFEA N#Cc1cccc(C2(NC(=O)CSC(F)F)CC2)c1 295435563 GANCNVCTSPVMQO-UHFFFAOYSA-N 282.315 2.619 30 50 CFEA C#CCC(CC#C)C(=O)Nc1nc2ccccc2s1 170617888 OUJVRYRPKAEAFW-UHFFFAOYSA-N 268.341 2.898 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F 585113577 AOLHAYIDLBLYHP-ZJUUUORDSA-N 295.301 2.589 30 50 CFEA N#Cc1cccc(CNc2nncn2-c2ccccc2)c1 191584480 XQPFMDQXVYQCEK-UHFFFAOYSA-N 275.315 2.751 30 50 CFEA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[n+]1ccccc1 13133729 VAWATGWXNSYOHD-PMPSAXMXSA-N 276.400 2.978 30 50 CFEA N#Cc1ccc(Br)cc1N1CCSC1 169725877 PEBXPIVBLRITCX-UHFFFAOYSA-N 269.167 2.831 30 50 CFEA C(=N/N1CCN(Cc2ccccc2)CC1)\c1cccs1 19771791 YVWDYPMRNJTENU-GHRIWEEISA-N 285.416 2.900 30 50 CFEA CCOC(=O)c1ccc(NC(=O)C#Cc2ccccc2)cc1 6741955 JLLIUFLUAJVXIY-UHFFFAOYSA-N 293.322 2.854 30 50 CFEA Cc1cc(=O)[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1 6962172 DPOCHLRFJYIZFM-GIDUJCDVSA-N 297.145 2.831 30 50 CFEA N#Cc1ccncc1[S@@](=O)c1ccc(Cl)cc1 1389026 ZAJMZTMMKZNWMH-QGZVFWFLSA-N 262.721 2.773 30 50 CFEA O=C1C=C(N2CCN(c3ccccc3F)CC2)CCC1 2543398 KNLHEHFPPPTCCK-UHFFFAOYSA-N 274.339 2.585 30 50 CFEA N#Cc1cc(C(F)F)cc(C(=O)O)c1Br 263624041 MXSFUNRDDHBBSR-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA Cc1cc(C)n2nc(S[C@H]3CC[C@H](C#N)C3)nc2n1 278528566 HZGAISCIBZVRBL-QWRGUYRKSA-N 273.365 2.526 30 50 CFEA CO[C@@H]1CCC[C@@]12CCCN(Cc1c[nH]c(C#N)c1)C2 1704297837 XSBHEPLGWTTWTI-CVEARBPZSA-N 273.380 2.667 30 50 CFEA CN(Cc1cccc2c1OC(F)(F)O2)CC(C)(C)C#N 414450512 GIKPCJQFLUKTKR-UHFFFAOYSA-N 282.290 2.990 30 50 CFEA CCCn1c(N)[n+](CC(=O)c2ccccc2)c2ccccc21 5311322 DLPCTZNFRYXMBS-UHFFFAOYSA-O 294.378 2.804 30 50 CFEA C[C@]1(C#N)CCCN(C(=O)c2cncc(Cl)c2)C1 590705805 LMQAEZXORQYOJG-CYBMUJFWSA-N 263.728 2.501 30 50 CFEA N#Cc1cccc2c1-c1ccc([N+](=O)[O-])cc1C2=O 230698 CFCGUAIRXFPQPI-UHFFFAOYSA-N 250.213 2.678 30 50 CFEA Cc1occc1C(=O)O/N=C(\N)Cc1ccc(Cl)cc1 22171223 LMCCEILLOHKVCX-UHFFFAOYSA-N 292.722 2.913 30 50 CFEA Cn1ccc(-c2cc(-c3cccc(O)c3)c(C#N)c(N)n2)c1 67805407 KRUTXAGCZYTSJR-UHFFFAOYSA-N 290.326 2.914 30 50 CFEA CC#CC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 283733629 FWZDVYKSZRFNAN-SECBINFHSA-N 255.239 2.906 30 50 CFEA COc1ccccc1OCCCc1cc(C#N)ccn1 91871286 ABEXCNJLAXILEX-UHFFFAOYSA-N 268.316 2.973 30 50 CFEA C=CCN(CC=C)[C@H](C(=O)O)c1ccc(F)c(C)c1 55099603 QIUPMJVGQQRWKB-AWEZNQCLSA-N 263.312 2.934 30 50 CFEA N#C[C@H]1CCC[C@H]1NC(=O)c1ccc2nc(S)oc2c1 170651928 KIPGVIAUGOCAOT-NXEZZACHSA-N 287.344 2.539 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1CCC(=O)c2cc(O)ccc21 585128071 RCDZKWHONFXXEX-NSHDSACASA-N 273.332 2.914 30 50 CFEA CC(C)CCN(C)c1ccc(/C=N/n2cnnc2)cc1 441260 QHFNCOQJVLYKLP-VCHYOVAHSA-N 271.368 2.643 30 50 CFEA Cc1nccn1C[C@H]1CCCN1Cc1cc(F)ccc1C#N 160965415 CJPVHBCBOYBCRV-QGZVFWFLSA-N 298.365 2.867 30 50 CFEA N#CCSc1nc(-c2cccnc2)ccc1C#N 2028098 LHBSHETZVDRDAU-UHFFFAOYSA-N 252.302 2.631 30 50 CFEA C=CCNC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 6744017 RLJHMDUILGRLGW-GFCCVEGCSA-N 253.729 2.800 30 50 CFEA C=CCN(CC#Cc1ccccc1)C(=O)c1ccc[nH]1 55385635 PPDGQQFLUDTGBG-UHFFFAOYSA-N 264.328 2.695 30 50 CFEA COC(=O)CCCCCB1OC(C)(C)C(C)(C)O1 170007034 CPALSUPPEXYMCB-UHFFFAOYSA-N 256.151 2.812 30 50 CFEA C=C(C)COc1cccc(C(=O)N(CC)CCCCO)c1 55245255 LUSJYQMSKNIQLR-UHFFFAOYSA-N 291.391 2.876 30 50 CFEA Cc1nc2c(c(O)nn2C)c(C)c1C/N=C(/O)C1(C)CC1 329894156 BFDVKYLGIMAGBI-UHFFFAOYSA-N 288.351 2.547 30 50 CFEA Cc1cc(C2CCC2)nc(N2CCC[C@@H](C#N)C2)n1 71760360 OSIXHOGHAOJJOE-LBPRGKRZSA-N 256.353 2.793 30 50 CFEA C=CC[C@]1(CO)CCCN(Cc2cc(F)ccc2OC)C1 92022726 IYLJNRRFNOMIIN-KRWDZBQOSA-N 293.382 2.985 30 50 CFEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc(Cl)o2)C1 91690901 PGSAQOLAODSRFH-CQSZACIVSA-N 297.738 2.816 30 50 CFEA O=C(ON=Cc1ccc([N+](=O)[O-])cc1)c1cccs1 254381372 LVDUIECUFRCFKA-UHFFFAOYSA-N 276.273 2.847 30 50 CFEA Cn1c(S[C@@H]2CC[C@@H](C#N)C2)nc2ccsc2c1=O 278497065 CBQYCKKWBCNYOV-RKDXNWHRSA-N 291.401 2.779 30 50 CFEA CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC[C@H](C)C#N 1614974068 DCJSYVMARNMFHQ-JHJVBQTASA-N 283.416 2.673 30 50 CFEA O=[N+]([O-])c1ccc([C@@H](O)C/N=C/c2ccccc2)cc1 3122174 NLDGGWWLCBWADD-BMANGOCTSA-N 270.288 2.747 30 50 CFEA Cc1cc(O)c(C(=O)/C=C/c2ccsc2)c(=O)o1 3996152 WCHZFRRSENZTEO-NSCUHMNNSA-N 262.286 2.611 30 50 CFEA O=C1O[C@H](c2ccccc2)C(C(=O)c2ccccc2)=C1O 100573508 IBLSDYDFLPXUPW-MRXNPFEDSA-N 280.279 2.980 30 50 CFEA CNc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 170004913 XSAIAGOWTPLEPJ-UHFFFAOYSA-N 267.565 2.681 30 50 CFEA CN(C(=O)c1ccccc1C#N)[C@@H]1CCOC(C)(C)C1 222730401 WXQKJPQBRQJTAF-CYBMUJFWSA-N 272.348 2.588 30 50 CFEA CC#CCCNC(=O)c1cc(Br)ccc1F 163329410 BAZBTQYMVRZZAE-UHFFFAOYSA-N 284.128 2.731 30 50 CFEA N#Cc1cccc(CN2CC[C@H](N3CCCCC3)C2)c1 62979968 JCZBSVBOWDTRIM-KRWDZBQOSA-N 269.392 2.618 30 50 CFEA CN([C@H]1CCC[C@H]1C(C)(C)C)S(=O)(=O)CC1(C#N)CC1 332000529 ZYIBIRTYDAGMEN-OLZOCXBDSA-N 298.452 2.767 30 50 CFEA C=CCC(=O)N[C@@H]1CCCN(CC2CCCCC2)C1 12703980 LOVBGKQCRRJWHY-OAHLLOKOSA-N 264.413 2.723 30 50 CFEA N#Cc1c(Cl)nc(N2CCOCC2)c(Cl)c1Cl 18142416 KEGKAFCYFIKHHZ-UHFFFAOYSA-N 292.553 2.750 30 50 CFEA O=C([C@H]1CO1)N1CCc2sccc2[C@@H]1c1ccccc1 1875372868 OGBCNKHDRUGYRE-HIFRSBDPSA-N 285.368 2.621 30 50 CFEA Cc1ncc(C#N)c(Cl)c1I 95708227 GVOOAQOBOZJTJH-UHFFFAOYSA-N 278.480 2.520 30 50 CFEA N#Cc1cc(Br)cc(C(=O)O)c1C(F)F 263623867 LKFRCVHCVHHQQE-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA CC(C)C(C)(C)CNC(=O)Nc1ccn(CCC#N)n1 188246774 GQTVWJMWLSSIFU-UHFFFAOYSA-N 277.372 2.600 30 50 CFEA C=C(C)CSc1nnc(Cc2ccccc2)c(O)n1 16624133 HGRQJJMVCGHRFZ-UHFFFAOYSA-N 273.361 2.836 30 50 CFEA C=CCN(C(=O)Cc1nc(C(F)(F)F)cs1)C1CC1 1137814414 BVBSSYQOSDIRFY-UHFFFAOYSA-N 290.310 2.881 30 50 CFEA CN=C(N[C@H]1C[C@H](OC)C1)N1CCC[C@@H]1c1ccsc1 1875278397 VTKNBSVQAYDZBS-MGPQQGTHSA-N 293.436 2.638 30 50 CFEA N#Cc1cc(NC2CCCC2)c([N+](=O)[O-])cc1C#N 4629390 BLCUERMHLJJTLN-UHFFFAOYSA-N 256.265 2.693 30 50 CFEA C=CCN(CC=C)C(=O)c1c(OC)cccc1OC 29307 JOFJZXKVGWGQRQ-UHFFFAOYSA-N 261.321 2.518 30 50 CFEA C#C[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 225683110 JRSLFQUECOORAP-NEPJUHHUSA-N 289.335 2.627 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)CCCn1ccnc1 328613826 UHOWAEMJMDTFOR-UKRRQHHQSA-N 279.384 2.681 30 50 CFEA Cc1cnc(OCc2cccc(C#N)c2)c([N+](=O)[O-])c1 175137765 KTEWMCMRSGOBDO-UHFFFAOYSA-N 269.260 2.749 30 50 CFEA CC(C)(C)OC(=O)N1CC2(CCC2)CC[C@H]1C=O 1535542563 CNHKUENTAVLWFD-NSHDSACASA-N 253.342 2.755 30 50 CFEA CC(C)n1cc(C(=O)OCc2ccc(CC#N)cc2)cn1 170605067 KYIZJSYJRZBXSA-UHFFFAOYSA-N 283.331 2.887 30 50 CFEA N#C[C@H]1CSCCN1C(=O)c1ccc(F)c(Cl)c1 271778208 YVLFKCYMGFWYDH-VIFPVBQESA-N 284.743 2.560 30 50 CFEA Cc1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1C#N 299780513 ANWIZYWUZXCGNB-LBPRGKRZSA-N 268.320 2.634 30 50 CFEA C#C[C@@](C)(CC)NC(=O)c1cc(-c2cccc(OC)c2)on1 4770930 WKYZPMSSGNNJQF-KRWDZBQOSA-N 298.342 2.882 30 50 CFEA C=CCc1cc(OC)ccc1OCCN1CCCC1 4845578 ASQOYQKMUMTQQT-UHFFFAOYSA-N 261.365 2.898 30 50 CFEA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)C1(C#N)CCCCC1 248090430 CBSJLXSYVQUNEP-HUUCEWRRSA-N 289.423 2.546 30 50 CFEA N#Cc1ccc(-c2cnc3ccc(Cl)nn23)cc1 139218364 XEVRTNQTEZIXOW-UHFFFAOYSA-N 254.680 2.921 30 50 CFEA in-vitro O=C1/C(=C/c2ccc([N+](=O)[O-])c(O)c2)Oc2ccccc21 299738144 BFUIMRZWCNMAPC-ZSOIEALJSA-N 283.239 2.917 30 50 CFEA C/C(NC(=O)c1ccccc1)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 18060539 AEGPEQPADQUZBA-RUDQYUADSA-N 269.344 2.935 30 50 CFEA biogenic CC1(C)OB(c2ccc3cccnc3c2)OC1(C)C 169747791 CIXVOEJAOCHQKS-UHFFFAOYSA-N 255.126 2.534 30 50 CFEA CC(=O)/N=C1\NC(=O)/C(=C\c2ccc(C(C)C)cc2)S1 6239017 JWCJLDOHUIRYIY-MDWZMJQESA-N 288.372 2.916 30 50 CFEA COc1ccc(/C(C)=N/N2C(=O)c3ccccc3C2=O)cc1 4578541 VLZCRTOODCENNF-WOJGMQOQSA-N 294.310 2.715 30 50 CFEA O=C1C=C(NC[C@@H]2CCCO2)C[C@H](c2ccccc2)C1 4624951 PUIXCYCVBUMQNS-YOEHRIQHSA-N 271.360 2.786 30 50 CFEA CC1(C)Cc2c(c(-c3ccccc3)[nH]c(=O)c2C#N)CO1 8582595 BPMAVTHRQBBTNZ-UHFFFAOYSA-N 280.327 2.765 30 50 CFEA COC(=O)[C@@H]1O[C@]1(c1ccccc1)c1ccc(F)cc1 334162632 DFMDOEZJDBHGBU-GOEBONIOSA-N 272.275 2.641 30 50 CFEA CN(Cc1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 248025476 GPXOLQYRGUENIZ-ARFHVFGLSA-N 270.376 2.804 30 50 CFEA CC[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 408474825 SFXCLGBJAKUDQS-CVEARBPZSA-N 286.375 2.722 30 50 CFEA O=[N+]([O-])c1ccc(O)c(/C=N/Cc2nc3ccccc3[nH]2)c1 3122949 XYLSBUKTXGOQAT-LZYBPNLTSA-N 296.286 2.796 30 50 CFEA CC#CC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 15073122 HWURBZLPGMWRIG-OAHLLOKOSA-N 291.354 2.661 30 50 CFEA Cc1cc(C)c(C#N)c(NC[C@@H]2C[C@H](C)O[C@H]2C)n1 591193696 RDWUUPHFUQAGFI-AVGNSLFASA-N 259.353 2.796 30 50 CFEA N#C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccco1 331477 DSBSLIPQSXSRMM-MRXNPFEDSA-N 266.300 2.935 30 50 CFEA CC(=O)C1=C(NC(=O)c2ccccc2)C[C@@H]2[C@@H]1C2(C)C 100740839 YQMYUMRTQGFQSG-DOMZBBRYSA-N 269.344 2.935 30 50 CFEA biogenic C#CCN(CC=C)Cc1c[nH]nc1-c1ccc(F)cc1 55211158 RETUDXHCYCKMHY-UHFFFAOYSA-N 269.323 2.837 30 50 CFEA C=CCC1(CC=C)CCCCN1C(=O)c1cccc(=O)[nH]1 63881778 CDHPHNGKKQZOJM-UHFFFAOYSA-N 286.375 2.892 30 50 CFEA N#CCCn1c(=O)sc2cc(Br)ccc21 34260854 OUKLOOLPPPWUDP-UHFFFAOYSA-N 283.150 2.739 30 50 CFEA CC1(C)OB(c2cnc3[nH]ccc3c2Cl)OC1(C)C 169794173 RCMMVCSRQVWSEX-UHFFFAOYSA-N 278.548 2.516 30 50 CFEA in-vitro O=c1c2c3c(sc2ncn1/N=C/c1ccco1)CCCC3 81373 YIVYLASFBGVWOV-CAOOACKPSA-N 299.355 2.812 30 50 CFEA CC#CC(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1 801163646 XJXFHDVNMOUEDW-QGZVFWFLSA-N 285.387 2.568 30 50 CFEA CC#CC(=O)N[C@@H]1CCC[C@H]1CCc1ccccc1 1875379457 QOIWVLXIZOWQBT-JKSUJKDBSA-N 255.361 2.927 30 50 CFEA CC1(C)OB(c2cc3cccnc3s2)OC1(C)C 1772715593 PDHCUKJHGUWHFZ-UHFFFAOYSA-N 261.155 2.596 30 50 CFEA C[C@]1(C#N)CCCN(Cc2ccc3c(c2)CCO3)C1 612406842 VKWSQDKIFJRIIA-MRXNPFEDSA-N 256.349 2.747 30 50 CFEA C[C@]1(c2ccc(F)c(Br)c2)O[C@H]1C#N 306389576 YUGZSRBBKDHUEF-VHSXEESVSA-N 256.074 2.726 30 50 CFEA N#Cc1cccc(CN2CCC[C@](CO)(CC3CC3)C2)c1 91636464 QZXXMXWJJWJULH-SFHVURJKSA-N 284.403 2.933 30 50 CFEA O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1ccccc1 325896 NYISTECDVJBFFP-VXLYETTFSA-N 288.310 2.760 30 50 CFEA O=C1c2ccccc2CC[C@@]12O[C@H]2c1ccncc1 13283790 HRRSYOHGEGUQGA-JKSUJKDBSA-N 251.285 2.721 30 50 CFEA N#Cc1nc(-c2ccccc2)oc1NCCCn1ccnc1 6110638 HERLJFRVJXXWPX-UHFFFAOYSA-N 293.330 2.912 30 50 CFEA CCOC(=O)[C@H]1[C@H](B2OC(C)(C)C(C)(C)O2)C1(C)C 1857779781 JXXBRNXZNXWTOH-ZJUUUORDSA-N 268.162 2.668 30 50 CFEA C[S@](=O)C1(CNc2cc(Cl)ccc2C#N)CCC1 253432071 IRIIKNWPYQHGGF-SFHVURJKSA-N 282.796 2.925 30 50 CFEA C=CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc1 4593941 FXENPOYVBWAQNF-AWEZNQCLSA-N 297.354 2.862 30 50 CFEA O=C(O)c1ccc(N=Cc2cccc([N+](=O)[O-])c2O)cc1 254395409 KLQIXNPZJXDJSQ-UHFFFAOYSA-N 286.243 2.749 30 50 CFEA Cc1nc(-c2ccccc2N(C)C)c(C#N)cc1C(=O)O 534655989 YRVYQRYWTAKRTH-UHFFFAOYSA-N 281.315 2.693 30 50 CFEA C#CCCCCC(=O)OCc1nccc(Cl)c1OC 585136164 UMFWMTCCKHJKAA-UHFFFAOYSA-N 281.739 2.980 30 50 CFEA Cc1[nH]ncc1CCCNc1nc2c(cc1C#N)CCCC2 270962927 OHWDGMBRQDHKGP-UHFFFAOYSA-N 295.390 2.908 30 50 CFEA C=CCC1(C(=O)N2CCC(n3ccnc3)CC2)CCC1 190792558 RGXFKJXYMAIEIP-UHFFFAOYSA-N 273.380 2.793 30 50 CFEA CC(C)C[C@H](N)B1O[C@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 202979211 YYXCDWMJTBCHJW-CXOVXGEYSA-N 265.206 2.627 30 50 CFEA COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc[nH]1 4185329 PKOVRRLAUGRAIV-VOTSOKGWSA-N 287.315 2.937 30 50 CFEA C/C(=N\N1CCN(c2ccccc2)CC1)c1ccc(O)cc1 19791217 APNRXQYMFAHRFU-XDJHFCHBSA-N 295.386 2.938 30 50 CFEA C=C(C)C[C@@H](C)C(=O)NCC12CCCN(CCC1)C2 1875268820 YOIGFKNRMRWEIS-CQSZACIVSA-N 264.413 2.581 30 50 CFEA C#CCN(C)C/C=C/C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 1875387797 XVWYVBXTNOAFDO-ZIEDNJRCSA-N 288.435 2.535 30 50 CFEA CS(=O)(=O)O[C@H](CC(F)(F)F)c1ccccc1 1535646102 VTTHMIZQXDKHFA-SECBINFHSA-N 268.256 2.656 30 50 CFEA C[C@H]1c2ccc(Cl)n2CCN1Cc1ccnc(C#N)c1 1616023865 VURSNLKTISPFBH-NSHDSACASA-N 286.766 2.985 30 50 CFEA Cc1cc(C#N)c(NCC[C@@H]2CCCOC2)nc1C 534583211 MUSBXPLLZVQMQN-ZDUSSCGKSA-N 259.353 2.799 30 50 CFEA C=CC[C@]1(CO)CCCN(Cc2ccc(C#N)cc2)C1 91943975 PEWXYNKMMBTIGW-KRWDZBQOSA-N 270.376 2.709 30 50 CFEA N#Cc1ccncc1NCC1(O)C2CC3CC(C2)CC1C3 2325780846 TWADPDROROUMBR-UHFFFAOYSA-N 283.375 2.552 30 50 CFEA CC1(C)OB(c2ccc(-n3cccc3)cc2)OC1(C)C 306321722 LIGABBLKQSAQMD-UHFFFAOYSA-N 269.153 2.777 30 50 CFEA CCCCCOc1ccc(/C(C)=N/N=C2NCCN2)cc1 49573777 XHNKZHYYGVYZHJ-CPNJWEJPSA-N 288.395 2.528 30 50 CFEA CCOCC1(CNC(=O)Nc2ccc(C#N)cc2)CCC1 299801356 WJGGGKJKAOEBHJ-UHFFFAOYSA-N 287.363 2.887 30 50 CFEA C=CCNS(=O)(=O)Cc1ccc(Cl)cc1Cl 12343806 GIVUVLXPZSAZAG-UHFFFAOYSA-N 280.176 2.599 30 50 CFEA C#CCCC1(CCC(=O)NCc2cnc(C3CC3)o2)N=N1 952882644 NRYLLYSHXNVCKR-UHFFFAOYSA-N 286.335 2.524 30 50 CFEA C=CCN(C(=O)C#CC)c1nc2c(s1)CCCC2 1875363298 ZWWQQSRVNITLJF-UHFFFAOYSA-N 260.362 2.564 30 50 CFEA C[C@@H]1C[C@@H]1c1nnc2ccc(Oc3ccccc3C#N)nn12 2325790412 JVVDGVGRNZEUSI-PWSUYJOCSA-N 291.314 2.912 30 50 CFEA C=CCC[C@@H](NC(=O)N1CCC[C@H](O)C1)c1ccccc1 131077162 GQLHSVQCBMHVPA-JKSUJKDBSA-N 288.391 2.860 30 50 CFEA C=C[C@@H](O)C#CC#C[C@H](O)/C=C/CCCCCCC 85831685 QWCNQXNAFCBLLV-PNUWANSTSA-N 260.377 2.818 30 50 CFEA biogenic CN1C[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CCC1=O 125172035 IKYXEBKVLFAGLC-JTQLQIEISA-N 297.280 2.610 30 50 CFEA CC(C)c1cc(CN(C)C(=O)c2ccccc2C#N)no1 219904041 ORTQOXLZCDACES-UHFFFAOYSA-N 283.331 2.942 30 50 CFEA CC1(C)CN(c2ccnc(C#N)n2)[C@@H]1c1ccccc1 952887269 MHRNLIVYJUMNBJ-OAHLLOKOSA-N 264.332 2.936 30 50 CFEA CC#CC(=O)N1CCc2ccccc2[C@H]1C(F)(F)F 1875369821 KHJOGHZQEYYPHS-ZDUSSCGKSA-N 267.250 2.698 30 50 CFEA C=CCSc1nnc2c(n1)O[C@@H](C)Nc1ccccc1-2 2073784 UCOFSZWVQPYWID-VIFPVBQESA-N 286.360 2.967 30 50 CFEA CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccc(C#N)cc1 2585861 PYMTTWVQVSELBI-GFCCVEGCSA-N 290.319 2.599 30 50 CFEA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(O)c(O)c1 4844914 CUEWOYAEVHHUTJ-XVNBXDOJSA-N 285.255 2.902 30 50 CFEA Cc1nc(SCC#CCO)n(-c2ccccc2)c1C 9142744 LWNFKOHTSMFJEU-UHFFFAOYSA-N 272.373 2.577 30 50 CFEA C[C@@H]1CCCC[C@@H]1/N=C(/O)[C@H]1CCc2cncn2C1 328592570 DMJFCBVVMSGOFO-DYEKYZERSA-N 261.369 2.981 30 50 CFEA Cc1ccc(C(=O)N[C@@]2(C#N)CC2(C)C)c2c1CCC2 333080567 LZJNQDKGLAIDAX-QGZVFWFLSA-N 268.360 2.906 30 50 CFEA N#Cc1ccnc(C(F)(F)F)c1Br 263624646 SGIFKJUSLVANPP-UHFFFAOYSA-N 251.005 2.735 30 50 CFEA CSc1ccc([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 675050528 MOPLSPLZFABVSH-UHFFFAOYSA-N 295.169 2.616 30 50 CFEA N#Cc1ccc(NC(=O)NCc2ccccc2F)cc1C#N 170609528 SUXFDBJZRGHMEM-UHFFFAOYSA-N 294.289 2.891 30 50 CFEA C=C1C[C@H]1C(=O)Nc1ccc(OCCOC)c(Cl)c1 585131766 FUNZVBJOWBKXQN-LLVKDONJSA-N 281.739 2.880 30 50 CFEA COc1ccc(B2OC(C)(C)C(C)(C)O2)c2cccnc12 169747186 UJPLJBDGXPKCDH-UHFFFAOYSA-N 285.152 2.543 30 50 CFEA C=CCN(Cc1cccs1)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 1857532645 JPWQJFKBKNGGHW-NEPJUHHUSA-N 293.388 2.764 30 50 CFEA CC[C@]1(O)CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 253432886 PJXZOHSVOJTJBG-ZDUSSCGKSA-N 284.281 2.928 30 50 CFEA CC(C)(O)C#C[C@@](O)(c1ccccc1)c1cccs1 200814 HVKSMKKAFOYNMX-MRXNPFEDSA-N 272.369 2.758 30 50 CFEA C[C@@H](Sc1ncccc1C#N)C(=O)Nc1nccs1 10007797 NLLIQXNFFRZVEV-MRVPVSSYSA-N 290.373 2.529 30 50 CFEA N#CC1CCC(CNc2ncc(Br)cn2)CC1 253419422 QUGBSUWEEVPNEG-UHFFFAOYSA-N 295.184 2.981 30 50 CFEA OC1=N[C@@H](/C(O)=N/[C@H]2CSc3ccccc32)CC1 329567555 PEZWUHBQEVJFDO-ZJUUUORDSA-N 262.334 2.909 30 50 CFEA CC1(C)CC(N2CCCC2)=CC(=NNCCC#N)C1 334157749 ZDPVYCSGTRPERZ-UHFFFAOYSA-N 260.385 2.645 30 50 CFEA C=C(C)COc1ccccc1NC(=O)c1ccnnc1 820530605 AAUJCQLTMJFEEQ-UHFFFAOYSA-N 269.304 2.684 30 50 CFEA C=C(C)CNC(=O)N[C@@H](c1ccn(C)c1)C(F)(F)F 170601516 TUPBHKJJSCPKAP-JTQLQIEISA-N 275.274 2.504 30 50 CFEA CC#Cc1ccc(-c2ccc([C@H](O)CO)s2)s1 13307092 RVVLUQPXASICPK-SNVBAGLBSA-N 264.371 2.874 30 50 CFEA biogenic,in-vitro N#Cc1ccc(Br)cc1N1CC(F)(F)C1 169725875 ODOSQSLQMJSBHV-UHFFFAOYSA-N 273.080 2.776 30 50 CFEA O=[N+]([O-])c1cccc(/C=N/Nc2ccc(O)cc2)c1 5344328 PGVSAMYTAOOOOA-NTEUORMPSA-N 257.249 2.746 30 50 CFEA CC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccccc1 550906 MSGDJSTXSMRDKG-OAHLLOKOSA-N 294.310 2.571 30 50 CFEA COc1cc(C#N)c(NCc2ccncc2)cc1OC 4344232 FVMITRPSEPMHLP-UHFFFAOYSA-N 269.304 2.583 30 50 CFEA C=CCn1cc(CN(C)CCC[C@@H]2CCCO2)c(C)n1 55198964 PXSCLPAXTMSGFT-MRXNPFEDSA-N 277.412 2.769 30 50 CFEA C=CCN1CC[C@@H](N2CC[C@H](c3ccc(CC)cc3)C2)C1=O 433083202 OAWLYYYIQCSWME-ZWKOTPCHSA-N 298.430 2.825 30 50 CFEA CC#CC(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 283920725 YGFVNKVIGZBZLK-HUUCEWRRSA-N 275.323 2.528 30 50 CFEA Cc1ccccc1N/N=C1/C(=O)Nc2ccccc21 85397602 GNENHQKUQDNVBG-UHFFFAOYSA-N 251.289 2.763 30 50 CFEA Sc1nnc(-c2ccco2)n1/N=C/C=C/c1ccco1 2321504 GFBXSWZKKQOHQG-QGUONYHJSA-N 286.316 2.967 30 50 CFEA CC#CC(=O)N(C[C@@H]1CCCO1)C1CCC(C)CC1 801161324 HOTYZKBMQNBPCV-NRXISQOPSA-N 263.381 2.596 30 50 CFEA N#CCCCCn1nnc(-c2ccc(Cl)cc2)n1 12374765 UVBJHIJPTGBDAA-UHFFFAOYSA-N 261.716 2.687 30 50 CFEA Cc1ccc(C(=O)/C=C(\O)C(=O)NCc2ccccc2)cc1 100330941 ZNPZHLPZMPEFMF-BOPFTXTBSA-N 295.338 2.936 30 50 CFEA CC(=O)O/N=C(\Nc1ccccc1)c1cccc([N+](=O)[O-])c1 8572744 CUSWOQCTJZWIMH-UHFFFAOYSA-N 299.286 2.932 30 50 CFEA C=CCN(Cc1ccc(C)s1)Cc1nccn1C 55197420 GCJLDTZLEPKQQV-UHFFFAOYSA-N 261.394 2.978 30 50 CFEA CCOC(=O)C1=C(C)/C(=N\Nc2ccccc2)N=C1C 100398368 IYZINRZEMAEJKE-NBVRZTHBSA-N 271.320 2.766 30 50 CFEA C[C@@H]1CCC(C)(C)/C1=N/NS(=O)(=O)c1ccccc1 102318776 MIQZNLAVPRKPJE-QORHXFOUSA-N 280.393 2.777 30 50 CFEA Cc1cc(C#N)c(N(C)CCN(C)C2CCCC2)nc1C 670466639 GAYBAIMFFTURJI-UHFFFAOYSA-N 286.423 2.881 30 50 CFEA COC[C@](C)(C#N)NC(=O)c1cc(C)c(Cl)cc1C 279989406 RKIHTAUTKHZARW-AWEZNQCLSA-N 280.755 2.615 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1Cc1cccc(C)c1 12036295 BWNRNGHYAPGARM-MRXNPFEDSA-N 272.392 2.652 30 50 CFEA CC(Nc1ccccc1N)=C1C(=O)CC(C)(C)CC1=O 192898 FXHNESHNKOQAHH-UHFFFAOYSA-N 272.348 2.913 30 50 CFEA O=C1C[C@@H](N2CCCCC2)C=C1Nc1ccc(F)cc1 117627 QJPNEWXRKVNMJE-AWEZNQCLSA-N 274.339 2.949 30 50 CFEA C=C1Cn2c(nc3sc4c(c3c2=O)CCCC4)S1 352591 OXIIYKUNBOLFAC-UHFFFAOYSA-N 276.386 2.956 30 50 CFEA O=C1C=C(NC[C@H]2CCCO2)C[C@@H](c2ccccc2)C1 4624952 PUIXCYCVBUMQNS-RHSMWYFYSA-N 271.360 2.786 30 50 CFEA C=CCN1CCN(C(=O)c2oc3ccccc3c2C)CC1 6699733 KSPVZXOSFMZMCM-UHFFFAOYSA-N 284.359 2.685 30 50 CFEA C=CCOc1ccc(NC(=O)c2ccncc2)cc1 6746259 YZYKUDYPBXMWAA-UHFFFAOYSA-N 254.289 2.899 30 50 CFEA C=C1C[C@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 606445511 YECSALQWNOVDJE-DOTOQJQBSA-N 284.403 2.686 30 50 CFEA COC(=O)c1cccc(-c2noc(C3(C#N)CCCC3)n2)c1 177734754 KOEUJAXSQHCPFE-UHFFFAOYSA-N 297.314 2.859 30 50 CFEA N#Cc1ccc(N2CCC(N3C[C@@H]4CCC[C@H]3C4)CC2)nc1 95502470 ZOOAIHSHGISXIA-PBHICJAKSA-N 296.418 2.796 30 50 CFEA COc1ccc(CSC)cc1B1OC(C)(C)C(C)(C)O1 211229475 NTHBOGSWUHHWLO-UHFFFAOYSA-N 294.225 2.857 30 50 CFEA N#C[C@H](C(=O)c1nccs1)c1nc(C2CC2)cs1 647379494 NPHOFSJDDCILSZ-MRVPVSSYSA-N 275.358 2.967 30 50 CFEA N#Cc1ccc(-c2ccc(Br)cc2)[nH]c1=O 16429391 GKZVRIYDZNJFDF-UHFFFAOYSA-N 275.105 2.676 30 50 CFEA in-vitro C=CCNC(=O)[C@@H](Cc1ccccc1)n1cccc1 12138149 JXPQIIYQBSJDFS-OAHLLOKOSA-N 254.333 2.574 30 50 CFEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Cl)c1O 209749408 BJPAILIPFMVCBM-UHFFFAOYSA-N 268.549 2.653 30 50 CFEA CC(C)(C/N=C(/O)N[C@@H]1CCCCN=C1O)C(F)(F)F 330031911 FUYDFNNNECIFCA-MRVPVSSYSA-N 295.305 2.588 30 50 CFEA CC(C)(C)O[C@H]1CCC[C@@]2(C=O)OC(=O)CC[C@]12C 71786532 POIJIHKZSRMCOL-GLQYFDAESA-N 268.353 2.635 30 50 CFEA Cc1cc(-c2ccc(C(=O)O)cc2)nc(C)c1C#N 534585563 HCVFOTJWLLHIJF-UHFFFAOYSA-N 252.273 2.935 30 50 CFEA Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1c[nH]cn1 71751804 MRAYQPGHYKHVMF-UHFFFAOYSA-N 291.314 2.607 30 50 CFEA Cc1cccc2[nH]c(B3OC(C)(C)C(C)(C)O3)cc12 169935440 VELXJVTVYLHSHY-UHFFFAOYSA-N 257.142 2.776 30 50 CFEA in-vitro Fc1ccc(-c2ccc(/C=N/n3cnnc3)o2)cc1 91286 AHVNPEWVKSASMS-REZTVBANSA-N 256.240 2.559 30 50 CFEA Cc1cccc(N2CCN(c3ccccc3C#N)CC2)n1 157339692 ANRPJQBHDQGQLQ-UHFFFAOYSA-N 278.359 2.588 30 50 CFEA C=CCCC[C@H](NC[C@@H](C)CCO)[C@]1(C)CCCO1 952882422 QREGVMKSKGFABV-JYJNAYRXSA-N 269.429 2.889 30 50 CFEA CC#CC(=O)N(CC)[C@@H](Cc1ccccc1)[C@H]1CCCO1 1875370279 ISGSTIOQDDYOFT-DLBZAZTESA-N 285.387 2.649 30 50 CFEA C=C[C@H]1CCCCN1C(=O)Cc1ccccc1OC 225618656 KZHKOUSQZBFCNC-AWEZNQCLSA-N 259.349 2.805 30 50 CFEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)[C@@H]1C[C@@H]1C1CC1 328619088 FJUCERKNLNJJFI-MQYQWHSLSA-N 289.379 2.736 30 50 CFEA CN(C)c1ccc(/N=C2\C(=O)ON=C2c2ccccc2)cc1 71772828 UZQRKZDFUFHVSH-VLGSPTGOSA-N 293.326 2.786 30 50 CFEA CC1(C)OB(c2ccc3occc3c2F)OC1(C)C 217520967 UUUWWMMFMOCSJJ-UHFFFAOYSA-N 262.089 2.871 30 50 CFEA C=CCNc1nnc(S[C@@H]2CCCC[C@@H]2O)s1 169924070 HDEDYCYYTSQODJ-DTWKUNHWSA-N 271.411 2.532 30 50 CFEA N#Cc1cncc(N[C@@H]2CCC[C@H]2Cc2ccccn2)n1 585098966 WUCZNOLEAIXSNM-SWLSCSKDSA-N 279.347 2.567 30 50 CFEA N#Cc1ccc(Br)nc1N1C[C@@H]2CCC[C@H]2C1 952883305 KSSLTLYEAFDSPA-QWRGUYRKSA-N 292.180 2.952 30 50 CFEA CN1Cc2ccccc2[C@@H](NCc2cccc(C#N)c2)C1 372885850 WLNYQUKICCXPRP-SFHVURJKSA-N 277.371 2.835 30 50 CFEA C=CCS[C@@H](C)C(=O)N1CCCN(C2CCCC2)CC1 71385530 GSWKZICQPXRMRX-AWEZNQCLSA-N 296.480 2.771 30 50 CFEA CC(C)c1ccc(C#N)c(NC[C@@H](CO)C(C)C)n1 828650114 BQWUCLGWQJEROX-ZDUSSCGKSA-N 261.369 2.753 30 50 CFEA CCCCCCCC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 170591487 BUYCPSKTGSFHQJ-GDBMZVCRSA-N 283.412 2.801 30 50 CFEA Cn1cccc1C(=O)NC1(c2ccc(C#N)cc2)CCC1 594139041 KDQGMSWDNZASKN-UHFFFAOYSA-N 279.343 2.706 30 50 CFEA CCN1C[C@H](CC(C)C)N/C1=N/Cc1ccccc1 1775994136 VKLHRMGHHPVLFU-HNNXBMFYSA-N 259.397 2.882 30 50 CFEA O=[N+]([O-])c1ccc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc1 3153934 UXHXTWHGHTYXCL-RIYZIHGNSA-N 287.231 2.959 30 50 CFEA COc1ccc(O)c(/C=N/OC(=O)c2ccccc2)c1 16133833 NRJSSBKAWKDSEO-MHWRWJLKSA-N 271.272 2.592 30 50 CFEA N#Cc1c[nH]c(C(=O)NCC2CC(c3ccccc3)C2)c1 253392524 ADTUJECTDOEZGU-UHFFFAOYSA-N 279.343 2.810 30 50 CFEA C[C@H]1CC[C@@H](C)N1C(=O)/C=C/c1cccc(C#N)c1 161903898 YGKFNLADQKJTLQ-UVHIWXSVSA-N 254.333 2.971 30 50 CFEA CC#CC(=O)N[C@@H]1CCCC[C@H]1Oc1cccc(C)c1 801174963 BVQQXVJYSOCXFQ-HZPDHXFCSA-N 271.360 2.825 30 50 CFEA C=C[C@@H]1OCC[C@H]1c1noc(C[C@H]2CCC3(CCC3)O2)n1 1875320813 LYASCDNQTFLGCN-UPJWGTAASA-N 290.363 2.772 30 50 CFEA O=C(/C=C/c1cccnc1)c1ccc([N+](=O)[O-])cc1 12686201 WLZFHTNWGNZEBU-FPYGCLRLSA-N 254.245 2.886 30 50 CFEA C[C@@]1(CNc2cc[nH]c(=N)c2C#N)CCCC1(F)F 2325789484 SGCXNGACAKXRQR-LBPRGKRZSA-N 266.295 2.603 30 50 CFEA CN(C)CCCNc1oc(-c2ccccc2F)nc1C#N 2367396 RLBOQRXRJCUCHJ-UHFFFAOYSA-N 288.326 2.716 30 50 CFEA C#C[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 225683055 JRSLFQUECOORAP-VXGBXAGGSA-N 289.335 2.627 30 50 CFEA COC(=O)[C@]1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CC1 218509328 MKYLMCZISMAYLU-OAHLLOKOSA-N 280.173 2.907 30 50 CFEA CN1/C(=N/Cc2ccccc2)NC[C@H]1c1ccc(F)cc1 605787115 BSDYDDSOJXAXQA-INIZCTEOSA-N 283.350 2.958 30 50 CFEA C[C@@H]1CN(Cc2ccc(C#N)cc2)CC[C@@]1(O)C1CC1 91625567 DJPBZIQOQLOXIV-DYVFJYSZSA-N 270.376 2.541 30 50 CFEA O=C1C2=C(c3ccccc31)N(O)[C@H]1CCCCC[C@@H]1[N+]2=O 334157339 OJPODJARNMHHDK-STQMWFEESA-N 285.323 2.737 30 50 CFEA C#CC[C@H](NC(=O)N1C[C@H](C)OC[C@H]1C)c1ccccc1 272558095 JDXAOAZFRZFQJX-YCPHGPKFSA-N 286.375 2.570 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)N[C@@H]1CC=CCC1 328623742 JKNXJUKHGZBDFF-MGPQQGTHSA-N 266.385 2.660 30 50 CFEA COc1ccc(/C(N)=N/OC(=O)Oc2ccccc2)cc1 4845213 PVGQMMJRRCOUPL-UHFFFAOYSA-N 286.287 2.531 30 50 CFEA Cn1c(NCc2ccc(F)nc2)nc2c(C#N)cccc21 225642711 JGGLBPOQKSHYDF-UHFFFAOYSA-N 281.294 2.591 30 50 CFEA C/C(Nc1ccc(C)c(C)c1)=C1\C(=O)CSC1=O 100319978 HMHUNKKOBLKSFV-RAXLEYEMSA-N 261.346 2.832 30 50 CFEA CC1(C)OB(c2ccc(C3(C#N)CC3)cc2)OC1(C)C 170027116 LQTZQARAJYGKBH-UHFFFAOYSA-N 269.153 2.541 30 50 CFEA C[C@@]1(NCCCC2(C#N)CCOCC2)CCO[C@H]1C1CC1 366912899 NBTNZWWHEVWQMJ-JKSUJKDBSA-N 292.423 2.634 30 50 CFEA COC(=O)Cc1cccc(-c2cccc(C#N)c2)c1 97757333 ZXCQSNIKAAZBJS-UHFFFAOYSA-N 251.285 2.941 30 50 CFEA C=CCn1ncc(CN2C[C@H]3CC=CC[C@H]3C2)c1C 820505368 VOHASFDRUJAHHP-GASCZTMLSA-N 257.381 2.776 30 50 CFEA N#CCC[C@@H](C#N)CN1CC(Oc2ccccc2Cl)C1 170595139 NSWXRIPDAPTMNR-LBPRGKRZSA-N 289.766 2.847 30 50 CFEA CC1(C)OB(c2ccc(N3CCCCC3)cc2)OC1(C)C 169743704 OTOKWHGMHAAFRM-UHFFFAOYSA-N 287.212 2.976 30 50 CFEA in-vitro N#Cc1ccc(C(=O)OCc2ccccc2C#N)c(F)c1 5014207 NECQCXTXLZBZRV-UHFFFAOYSA-N 280.258 2.926 30 50 CFEA C=CCNC(=S)N/N=C\c1c(O)ccc2ccccc12 12374173 PVVHNGOWSLVKII-YVLHZVERSA-N 285.372 2.529 30 50 CFEA Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1 12582121 IIKOSSZBVGWABG-XNTDXEJSSA-N 271.345 2.713 30 50 CFEA COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1O 4473323 HPVVEEALGSWGAM-OQLLNIDSSA-N 287.275 2.755 30 50 CFEA N#Cc1cc(NCc2ccco2)c([N+](=O)[O-])cc1C#N 4622816 LUIAOUGIRIJVPE-UHFFFAOYSA-N 268.232 2.543 30 50 CFEA Cc1noc(C)c1C(=O)Nc1sc2c(c1C#N)CCC2 2749625 RZJQZYGZIJCRCM-UHFFFAOYSA-N 287.344 2.966 30 50 CFEA CCCC(=O)C1=C(NC(C)C)CC(C)(C)CC1=O 100319190 JKKLDXWOUPHSPR-UHFFFAOYSA-N 251.370 2.997 30 50 CFEA biogenic C[C@@H](NC(=O)CNc1ccc(C#N)cc1F)c1ccccc1 135637908 KLXJPXMOKHSEHA-GFCCVEGCSA-N 297.333 2.987 30 50 CFEA C=C(C)CN(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 328648943 UUSAHAHZJKWKLP-DOTOQJQBSA-N 290.455 2.701 30 50 CFEA CCC(CC)(CN[C@H]1CCC[C@H](C#N)C1)C(=O)O 263075018 QJVJHNQSRWNQMV-RYUDHWBXSA-N 252.358 2.549 30 50 CFEA Cc1oc(C#N)cc1C(=O)N1CCC[C@H]1c1cccnc1 335844436 WPYVCXIVYVKYKS-HNNXBMFYSA-N 281.315 2.832 30 50 CFEA C=CCSc1nc(=O)c2c3c(sc2[nH]1)CCC3 13520515 MWIUSTWHCNRNMS-UHFFFAOYSA-N 264.375 2.751 30 50 CFEA CCOc1ccccc1[C@@H]1C(C(C)=O)=C(C)Nc2ncnn21 147737 JOGYRSCBPQEWBC-OAHLLOKOSA-N 298.346 2.555 30 50 CFEA CC1(C)OB(C#CCCO[C@@H]2CCCCO2)OC1(C)C 1857785010 DHSJIWYEPZRBMJ-CYBMUJFWSA-N 280.173 2.555 30 50 CFEA C/C(=N\Nc1ncnc2ccsc12)c1c[nH]nc1C 1875252923 OSXUAXNKNYAXQS-CAOOACKPSA-N 272.337 2.559 30 50 CFEA Cc1cc(C)c(C#N)c(N2CC[C@@H](O)CC(C)(C)C2)n1 295875306 CWMSQVIXXPNWLK-CYBMUJFWSA-N 273.380 2.557 30 50 CFEA CN1C(=NCc2ccoc2)NC[C@H]1c1ccc(F)cc1 2325863796 WZNCMWFTXYWWHL-AWEZNQCLSA-N 273.311 2.551 30 50 CFEA C(#Cc1ccc(C#CCN2CCCC2)cc1)CN1CCCC1 970458 MSBDCFQVJOVSKX-UHFFFAOYSA-N 292.426 2.581 30 50 CFEA C#CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 8570396 JHBIEUATKFBAPX-UHFFFAOYSA-N 295.294 2.680 30 50 CFEA Cc1ccc([C@H](CNc2oc(C)nc2C#N)N(C)C)cc1 28251181 ZISVYYYRLQUZLR-HNNXBMFYSA-N 284.363 2.878 30 50 CFEA Cn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/[C@@H]1C=CCCC1 328636057 VIGLLKFPLITFRB-YRGRVCCFSA-N 275.352 2.563 30 50 CFEA N#Cc1cccc(CN2CC[C@@]3(CCCO3)CCC2=O)c1 72166653 MJJHVLYVPZUUQL-QGZVFWFLSA-N 284.359 2.620 30 50 CFEA CC(C)(C)OC(=O)N1CC2(CCC2)CC[C@@H]1C=O 1535542555 CNHKUENTAVLWFD-LLVKDONJSA-N 253.342 2.755 30 50 CFEA N#Cc1nccnc1N1CCC(c2ccsc2)CC1 302395617 GHWVSDBCSKRKAF-UHFFFAOYSA-N 270.361 2.794 30 50 CFEA N#Cc1ccc2ncc(CNc3ccc(Cl)cn3)n2c1 170608693 UPPOMXKLFHODBZ-UHFFFAOYSA-N 283.722 2.866 30 50 CFEA COc1ccc2c(c1)CC/C(=C\c1cocn1)C2=O 170605438 UDAOTUZDXDWERM-IZZDOVSWSA-N 255.273 2.896 30 50 CFEA FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H]1CO1 95681952 QHHCBVYZWRKFLZ-UWTATZPHSA-N 262.071 2.853 30 50 CFEA in-vitro C=CCCN1CCCN(C(=O)c2cccc(F)c2C)CC1 981214818 IBJPAWCAROFHLN-UHFFFAOYSA-N 290.382 2.858 30 50 CFEA O=C(O)c1ccc(N/N=C2/COc3ccc(F)cc32)cc1 1875254142 ZWJQHIDQLCSUDX-AQTBWJFISA-N 286.262 2.733 30 50 CFEA COc1ccc(NC(=O)N2CCC(C#N)CC2)c(F)c1 426746349 UNDYYOCUOCNVQC-UHFFFAOYSA-N 277.299 2.602 30 50 CFEA Cc1ccnc(N2CC[C@@H](c3ccncc3)C2)c1C#N 599100480 IXVGQNYXFNNBQW-CQSZACIVSA-N 264.332 2.651 30 50 CFEA CCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1 295579 XHNFURAQPBTAFS-UHFFFAOYSA-N 251.285 2.725 30 50 CFEA COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc(O)c1O 6483435 DRDRYGIIYOPBBZ-XBXARRHUSA-N 286.283 2.708 30 50 CFEA endogenous,in-man CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 91724287 CBICAAXPFUWHHE-NVXWUHKLSA-N 297.402 2.505 30 50 CFEA CC(=O)C1=Cc2c(Br)cccc2OC1 675082141 USWZDLNVWAFMNS-UHFFFAOYSA-N 253.095 2.814 30 50 CFEA CC(C)(C)[C@H]1CN(c2ccc(Cl)c(C#N)n2)CCO1 279636988 ZTHUPBXXMCUEQJ-GFCCVEGCSA-N 279.771 2.858 30 50 CFEA CCN(C(=O)N=c1cc(C)n(CCC#N)[nH]1)c1ccccc1 584908817 BEIMNIXEWSDHEU-UHFFFAOYSA-N 297.362 2.586 30 50 CFEA C=CCN(Cc1ccc(C)cc1)C(=O)[C@@H](C)N(C)CC 1506398855 VESBFHCWOOZSGC-OAHLLOKOSA-N 274.408 2.850 30 50 CFEA C=CCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 12380656 HZTYOHFBXHCMPZ-GFCCVEGCSA-N 255.317 2.909 30 50 CFEA N#Cc1c(N)nc2c(c1-c1ccc3c(c1)OCO3)CCCC2 19594903 XLHNDQCQIVHZLN-UHFFFAOYSA-N 293.326 2.810 30 50 CFEA C#Cc1cccc(NC(=O)c2cccc(OC)c2)c1 264131 YBOQHNZXYQPRJI-UHFFFAOYSA-N 251.285 2.929 30 50 CFEA C=CCOc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 4868630 JRRGBJHKMNAPFK-UHFFFAOYSA-N 296.326 2.603 30 50 CFEA O=C1N[C@H](c2ccccc2)C(C(=O)c2ccccc2)=C1O 6493977 IHNBMKPPKXUWRC-CQSZACIVSA-N 279.295 2.553 30 50 CFEA COC(=O)[C@H]1O[C@]1(c1ccccc1)c1ccc(F)cc1 334162631 DFMDOEZJDBHGBU-GDBMZVCRSA-N 272.275 2.641 30 50 CFEA N#Cc1c(CONC(=O)C2CCCC2)cn2ccccc12 170651008 KPRFHRUWNJIDQW-UHFFFAOYSA-N 283.331 2.549 30 50 CFEA C#C[C@@H](N[C@@H]1CCOC1)c1ccc(Br)cc1 585117127 RNYHGSDQMJXTLO-CHWSQXEVSA-N 280.165 2.502 30 50 CFEA C#CCOc1cccc([C@@H](C)N[C@H]2CCc3c[nH]nc3C2)c1 1775984819 KFLFPORGEOPEBZ-CJNGLKHVSA-N 295.386 2.630 30 50 CFEA N#Cc1ccc(N2CC[C@H](C3CCOCC3)C2)cc1 328586506 UVTBMGOCEXJIFM-HNNXBMFYSA-N 256.349 2.811 30 50 CFEA Cc1cc(N2CC(N3CCCC[C@H]3C)C2)nc(C)c1C#N 2356143320 CPWLYJSEVSYDDL-CYBMUJFWSA-N 284.407 2.633 30 50 CFEA C=CCN(Cc1ccco1)C(=O)Cc1csc(C)n1 65370042 YPUGRSJBHSAEFZ-UHFFFAOYSA-N 276.361 2.802 30 50 CFEA CC1(C)CCCN(C(=O)c2ncc(F)cc2F)[C@H]1C#N 278046775 VLAQWCYAJKHANU-NSHDSACASA-N 279.290 2.514 30 50 CFEA Cc1noc(C)c1NC(=O)[C@@]1(C#N)CCc2ccccc2C1 1615049656 CWYXYHQRIMFGKI-KRWDZBQOSA-N 295.342 2.929 30 50 CFEA Cc1ccc(S(=O)(=O)NN=C2CCCCC2)cc1 4365922 WMCVYCATQIGYIO-UHFFFAOYSA-N 266.366 2.593 30 50 CFEA in-vitro CC#CC(=O)N(CCCC)[C@H]1CCc2ncsc2C1 844101335 BMDKONAWXXYWRB-LBPRGKRZSA-N 276.405 2.652 30 50 CFEA CCOC(=O)[C@H]1CC/C(=C/B2OC(C)(C)C(C)(C)O2)C1 1772716390 MZAWJGSRWQPSDD-WEHUKYGOSA-N 280.173 2.907 30 50 CFEA C=C(C)C[C@H](NCc1cc2ncccc2s1)C(=O)O 2325789552 XENROJOXJBTTIZ-LBPRGKRZSA-N 276.361 2.805 30 50 CFEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C(C)C 407590 VPMRLKRRCREJRC-CYBMUJFWSA-N 291.391 2.952 30 50 CFEA C=CCNc1nc(-c2c(C)nc3ncccn23)cs1 4094886 KNECZGISGIKJMY-UHFFFAOYSA-N 271.349 2.759 30 50 CFEA N#Cc1ccc(-c2nnc3n2CCCCCC3)cc1 601044430 PQTXZRMAMNXQLY-UHFFFAOYSA-N 252.321 2.933 30 50 CFEA OC[C@H](CC1CCCC1)/N=C(/O)[C@@H]1CCCN1C1CC1 328706792 ZFZPIPJGUAIODU-ZFWWWQNUSA-N 280.412 2.511 30 50 CFEA C=CCC[C@@H](CN1CCCC1)Oc1ccc(C#N)nc1 72433712 XRECIFJADLPEDS-INIZCTEOSA-N 271.364 2.763 30 50 CFEA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[n+]1ccccc1 13133731 VAWATGWXNSYOHD-OAGGEKHMSA-N 276.400 2.978 30 50 CFEA COC(=O)Cc1ccc(CNc2cc(C)c(C#N)cn2)cc1 1157765236 ORWQUTHKAYUBJK-UHFFFAOYSA-N 295.342 2.589 30 50 CFEA N#CCc1cccc(N2CCC[C@@H]2[C@@H]2CCCOC2)n1 1875266457 UGRAXPMCVDYOCR-UKRRQHHQSA-N 271.364 2.543 30 50 CFEA O=C([C@H]1CO1)N1CCc2sccc2[C@H]1c1ccccc1 1875372869 OGBCNKHDRUGYRE-UKRRQHHQSA-N 285.368 2.621 30 50 CFEA Cc1[nH]nc(O)c1[C@@H](c1ccccc1Cl)C(C#N)C#N 41184 QIQIZEGUIVEBEC-CYBMUJFWSA-N 286.722 2.872 30 50 CFEA C[C@H](OC(=O)Cc1cccc(OCC#N)c1)c1cccnc1 225522908 QSPLCMFGRMCPKP-ZDUSSCGKSA-N 296.326 2.831 30 50 CFEA CSc1nnc(C(F)F)n1/N=C/c1cccc(F)c1 2789506 GMYVDINXTQLPRH-GIDUJCDVSA-N 286.282 2.959 30 50 CFEA C=CC[C@@H](NC[C@H](C)CCc1ccccc1)C(=O)O 426801187 SJVGYWFBEFDYLB-UKRRQHHQSA-N 261.365 2.874 30 50 CFEA CC#CC(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 328589552 TWPFBLGAMHRBOW-ZDUSSCGKSA-N 281.359 2.601 30 50 CFEA N#Cc1nc(C(F)(F)F)ccc1I 263623482 HVJSKKWGIYYSIT-UHFFFAOYSA-N 298.005 2.577 30 50 CFEA Cc1cc(C#N)c(N2CC[C@@]3(O)CCCC[C@H]3C2)nc1C 670462915 IKHAJVZCJDNUDJ-RDJZCZTQSA-N 285.391 2.702 30 50 CFEA C=CCOc1ccc(CN[C@H](C)c2nncn2CC)cc1 952990934 YFLQLQFZFDJMMI-CYBMUJFWSA-N 286.379 2.714 30 50 CFEA CC#CCNc1cccc(C(=O)N2CCSCC2)c1C 170591977 HLNHFVMTUPFNPR-UHFFFAOYSA-N 288.416 2.619 30 50 CFEA C=CCN(Cc1ccc(C)cc1)[C@H](C)C(=O)N1CCCC1 1529178564 NQCFJNDDIMPQED-MRXNPFEDSA-N 286.419 2.994 30 50 CFEA CCc1cnccc1[C@@H](C)/N=C(/O)c1cnn(C)c1C 330645948 GUQCKSKCLBZEKK-SNVBAGLBSA-N 272.352 2.752 30 50 CFEA Cc1cccc(C[C@H](C)N=c2cc(C)c(C#N)c(C)[nH]2)n1 2356167778 BKCSYEHQLHPMHE-ZDUSSCGKSA-N 280.375 2.739 30 50 CFEA Cc1cc(-c2ccc(Br)cc2)[nH]c(=O)c1C#N 2521036 BRHFMMXFUPYJFH-UHFFFAOYSA-N 289.132 2.985 30 50 CFEA C=CCC[C@H](CN1CCCC1)Oc1ccc(C)nn1 67741519 AMEZLOUIJZONAB-CQSZACIVSA-N 261.369 2.594 30 50 CFEA CC(O)=Nc1ccn([C@@H]2CCN(Cc3occc3C)C2)n1 328622830 IRZWCMVQLGGPEZ-CYBMUJFWSA-N 288.351 2.839 30 50 CFEA Cn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/[C@H]1C=CCCC1 328636031 VIGLLKFPLITFRB-OUCADQQQSA-N 275.352 2.563 30 50 CFEA CC1(C)OB(c2ccc(C(F)(F)F)cc2C#N)OC1(C)C 169809457 OINNEFWMBQNRSL-UHFFFAOYSA-N 297.085 2.876 30 50 CFEA in-vitro CCC[C@@H](C#N)NC(=O)c1cccnc1C(F)(F)F 170608856 YGHMTBHFOPGILA-QMMMGPOBSA-N 271.242 2.522 30 50 CFEA C=CCOc1cccc(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 18030076 DGKQNRUUMLOBCX-BETUJISGSA-N 275.348 2.501 30 50 CFEA CC[C@@]1(O)CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 253432885 PJXZOHSVOJTJBG-CYBMUJFWSA-N 284.281 2.928 30 50 CFEA Cc1cc(C)c(C#N)c(NC[C@@H]2C[C@@H](C)O[C@H]2C)n1 591193695 RDWUUPHFUQAGFI-AGIUHOORSA-N 259.353 2.796 30 50 CFEA COc1ccc(C=C2C(=O)c3ccccc3C2=O)c(O)c1 280942 YXLOCSTVOOKPJR-UHFFFAOYSA-N 280.279 2.863 30 50 CFEA C=CCN(Cc1ccccc1Cl)C(=O)[C@H]1CCCN1 55153556 RGTNNTPWEBGPAA-CQSZACIVSA-N 278.783 2.607 30 50 CFEA CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)C[N+](C)(C)C 25626209 ILQRAXINCJFNAQ-IHRRRGAJSA-N 256.410 2.697 30 50 CFEA O=CCNC(=O)OCC1c2ccccc2-c2ccccc21 44563735 DBTMQODRSDEGRZ-UHFFFAOYSA-N 281.311 2.724 30 50 CFEA C=CCn1ncc(CN2CCc3ccccc3C2)c1C 820505271 KVIHKPHVZSIZMF-UHFFFAOYSA-N 267.376 2.936 30 50 CFEA CCCn1cnnc1CN(C)c1nc(C(C)C)ccc1C#N 670450086 ZXNCXVQCHJOQMN-UHFFFAOYSA-N 298.394 2.715 30 50 CFEA CSCc1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)o1 217938578 GQCMRZFLZNBVTC-AWEZNQCLSA-N 278.377 2.908 30 50 CFEA CSCc1ccc(C(=O)N2CCC[C@](C)(C#N)C2)o1 217938647 GQCMRZFLZNBVTC-CQSZACIVSA-N 278.377 2.908 30 50 CFEA CCOc1ccccc1/C=N/N1C(=O)c2ccccc2C1=O 160733 XPADBVFTRYMZGX-WOJGMQOQSA-N 294.310 2.715 30 50 CFEA O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cccnc1 4079541 FVLXAEXRZJMEIS-VOTSOKGWSA-N 254.245 2.886 30 50 CFEA Cc1ccc(S[C@@H](C)/C(O)=N/c2ncn[nH]2)cc1 18206493 BQPRBYLILBRUER-VIFPVBQESA-N 262.338 2.882 30 50 CFEA CC1(C)C2CCC1(NC(=O)C#C[C@]1(C)CCCO1)CC2 2325781408 NFOQCNGERRSHGK-PWZRNIHTSA-N 275.392 2.644 30 50 CFEA C[C@H](Sc1nc(-c2cccnc2)ccc1C#N)C(=O)O 205411 TTYVRSNZLYOFEC-VIFPVBQESA-N 285.328 2.580 30 50 CFEA COC(=O)c1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 2561696 AIXJJLCDYFYXKS-UHFFFAOYSA-N 292.290 2.936 30 50 CFEA Cc1cc(C)nc(CN(C)c2cc(C#N)ccn2)c1 670456471 FJDZMPQURVIJBF-UHFFFAOYSA-N 252.321 2.602 30 50 CFEA N#Cc1cccnc1NS(=O)(=O)c1cc2ccccc2o1 170604046 OTZQNFNZQFZCQT-UHFFFAOYSA-N 299.311 2.500 30 50 CFEA CC(C)(C)OC(=O)n1cc(C#CCO)c2ccccc21 669371594 JDKRFBFOAFVDRB-UHFFFAOYSA-N 271.316 2.768 30 50 CFEA CC[C@H](CC#N)NC(=O)c1ccc2cc(C)cn2c1 585080831 KCRFBINLVMZPBY-CYBMUJFWSA-N 255.321 2.670 30 50 CFEA O=CCC1CCN(C(=O)OCc2ccccc2)CC1 2576136 SRDLYAHRIXBDKX-UHFFFAOYSA-N 261.321 2.624 30 50 CFEA in-vitro CC1(C)OB(c2cnc3cc(F)ccc3c2)OC1(C)C 1703299550 CNFNCYDADFDASI-UHFFFAOYSA-N 273.116 2.673 30 50 CFEA Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc1 1430790 HYDLUQYZRAXGTL-LBPRGKRZSA-N 255.317 2.606 30 50 CFEA Cc1cc(-c2cccnc2)c(C#N)c(SCC#N)n1 2372072 QJNIUEGABTZNDU-UHFFFAOYSA-N 266.329 2.939 30 50 CFEA C#Cc1cccc(NC(=O)N2CCC[C@H](N3CCCC3)C2)c1 373077062 CSDCOUDAMZYFBT-KRWDZBQOSA-N 297.402 2.760 30 50 CFEA CCc1cc(C#N)ccc1NC(=O)N(C)Cc1nc(C)c[nH]1 95520012 QMUOMNIELLIHCK-UHFFFAOYSA-N 297.362 2.816 30 50 CFEA C=C(C)Cn1c(S)nnc1-c1ccc([N+](=O)[O-])cc1 5562479 ALEVTQLBVLCLTK-UHFFFAOYSA-N 276.321 2.718 30 50 CFEA CCc1c(OC[C@@H]2CO2)cc(C)c(OC(C)=O)c1C 5667038 YAVBSFDMKUKODR-LBPRGKRZSA-N 264.321 2.569 30 50 CFEA CC1(C)OB(c2c(F)c(F)c(F)c(F)c2F)OC1(C)C 169747293 FTJVUPKSBLYGSY-UHFFFAOYSA-N 294.028 2.681 30 50 CFEA Cc1nc2ccccc2nc1N/N=C/c1ccc(O)cc1O 4764554 OYIDIMLRONJMSI-RQZCQDPDSA-N 294.314 2.795 30 50 CFEA C/C(=N\Nc1ccccn1)c1cc([N+](=O)[O-])cs1 4982501 HNAAYJLGUIRGGK-MDWZMJQESA-N 262.294 2.887 30 50 CFEA CCCc1ccc(-c2ccc(/C(N)=N/O)cc2)nc1 9520010 XUEVEQDRDKWPPP-UHFFFAOYSA-N 255.321 2.796 30 50 CFEA C=CCN(CC#Cc1ccccc1)Cc1c[nH]c(C)n1 55403173 VNNCASPQFPFBER-UHFFFAOYSA-N 265.360 2.758 30 50 CFEA CC(C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170018680 SWFGGNJIVNXPSN-UHFFFAOYSA-N 289.184 2.580 30 50 CFEA Cc1c(-c2cccs2)nc(N)c(C#N)c1-c1cnn(C)c1 67956220 RWCPMDZXAQFVHA-UHFFFAOYSA-N 295.371 2.973 30 50 CFEA C=C1CCC[C@@]2(C)C[C@]34O[C@H]3C(=O)CC[C@]4(C)C[C@@]12O 71786244 DRQXPAHUXFUVLH-SIRPWMCASA-N 276.376 2.765 30 50 CFEA COc1ccc(C(=O)/C=C2/Nc3ccccc3NC2=O)cc1 90450364 FSOXMTPAWNDEOH-XNTDXEJSSA-N 294.310 2.826 30 50 CFEA CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1ccc(C#N)cc1 184805541 MOCIOAXMFHXOKX-JKSUJKDBSA-N 286.375 2.882 30 50 CFEA O=C1N/C(=C\c2ccc(F)cc2)C(=O)c2ccccc21 217308 HFFNOIODHNMYKS-ZROIWOOFSA-N 267.259 2.793 30 50 CFEA O=C([C@H]1CO1)N1CCC[C@H]1c1ccccc1C(F)(F)F 1875372391 FCJIOJMAPGZQOA-NWDGAFQWSA-N 285.265 2.768 30 50 CFEA O=C1c2ccccc2C(=O)N1/N=C/c1ccccc1Cl 1719665 ZRRPREILZWWIAT-RQZCQDPDSA-N 284.702 2.970 30 50 CFEA CC[C@@H](NCc1cc(C#N)ccc1F)c1ccn(C)n1 1875259815 SCHRBIVHMJNSPE-CQSZACIVSA-N 272.327 2.672 30 50 CFEA C#CC(CC)(CC)NC(=O)c1cc2ccccc2oc1=O 1056302 UQJUZIWUWNWSOV-UHFFFAOYSA-N 283.327 2.715 30 50 CFEA CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)c1 4488871 IHCLCIMNIZWVAA-ZDUSSCGKSA-N 285.343 2.696 30 50 CFEA Cc1ccc(S(=O)(=O)c2sc(N)c(C#N)c2C)cc1 4742948 ZJTINSDCMDWFQV-UHFFFAOYSA-N 292.385 2.652 30 50 CFEA C#CC(CC)(CC)NC(=O)Nc1ccccc1C(=O)OC 6349090 YTKBXEMGGGNOIQ-UHFFFAOYSA-N 288.347 2.787 30 50 CFEA CC#C/C(O)=N/[C@H]1CCCN(c2cccc(OC)c2)C1 328596171 VVFYHPFIJSVKBA-ZDUSSCGKSA-N 272.348 2.644 30 50 CFEA CC(C)(C)S(=O)(=O)/C(C#N)=N/Nc1ccc(Cl)cc1 3047656 VLCPUAZUQXIQNA-LFIBNONCSA-N 299.783 2.802 30 50 CFEA C=C/C(O)=N/[C@H](CC)CS(=O)(=O)c1ccc(C)c(C)c1 328600740 ZKPRVRMSOQVETB-CYBMUJFWSA-N 295.404 2.998 30 50 CFEA C/C(=C\C(=O)[C@@H](C#N)C(=O)NC(C)C)c1ccccc1C 221770315 YUYAVZOQZAQGKQ-BMQCOBNYSA-N 284.359 2.632 30 50 CFEA CC1(C)CN(c2cncc(C#N)n2)Cc2ccccc21 570917259 VZHUGHPGQMWUFG-UHFFFAOYSA-N 264.332 2.646 30 50 CFEA O=C(O)c1cccc(/C=C2\CCc3nc(O)ccc3C2=O)c1 584908702 JXSKPLNDOYQBKQ-DHZHZOJOSA-N 295.294 2.698 30 50 CFEA CCO[C@]1(c2nnc(-c3ccc(C#N)cc3C)o2)CCOC1 886082281 SBRIAGYFBZDOMD-MRXNPFEDSA-N 299.330 2.569 30 50 CFEA COC(=O)Cc1cccc(Oc2c(C#N)cccc2C#N)c1 225512022 SCCGBFQZOQIKJZ-UHFFFAOYSA-N 292.294 2.938 30 50 CFEA Cc1nc2c(s1)CCC[C@@H]2Nc1nccnc1C#N 32586951 QIDQMMJTYYZPGK-VIFPVBQESA-N 271.349 2.603 30 50 CFEA CCC(C)(C)c1cc(-c2ccc(CO)o2)c(C#N)c(N)n1 71736201 PXMZATPTEZEZAE-UHFFFAOYSA-N 285.347 2.975 30 50 CFEA C#CC[C@H](NC(=O)N1C[C@@H](C)OC[C@H]1C)c1ccccc1 272558093 JDXAOAZFRZFQJX-FMKPAKJESA-N 286.375 2.570 30 50 CFEA C=C(C)C[C@H](C)C(=O)N[C@H](c1csc(C)n1)[C@@H](C)O 585126869 KFVDAIRXSLWZHY-CWSCBRNRSA-N 282.409 2.592 30 50 CFEA N#Cc1ccc(/C=C/C(=O)NCc2ccccc2)cc1 114588 CZRJKPRIEGPAQT-ZHACJKMWSA-N 262.312 2.888 30 50 CFEA Oc1cccc(/C=N/n2c(-c3ccco3)n[nH]c2=S)c1 1244014 DCISKFJYJIPDDA-RIYZIHGNSA-N 286.316 2.788 30 50 CFEA C=CCNCC[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 12003301 SLRXHEFAFAPHSF-INIZCTEOSA-N 272.392 2.652 30 50 CFEA Cn1cnnc1SCc1ccc(C#N)cc1Cl 52122 KXUXFXLSEGCVPS-UHFFFAOYSA-N 264.741 2.632 30 50 CFEA N#CCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 999618 VHTIPTMYBBZXJQ-UHFFFAOYSA-N 298.173 2.556 30 50 CFEA N#CCCn1cc(CO)c(-c2ccc(Cl)cc2)n1 2860283 NAORCSHBJQDXTH-UHFFFAOYSA-N 261.712 2.609 30 50 CFEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@H]4[C@@H]23)cc1 248030108 PWROZVJTPAXOPA-KJWHEZOQSA-N 278.373 2.745 30 50 CFEA Cn1cnc(/C=C2\CSc3ccc(F)cc3C2=O)c1 585079760 VFIHLSNQOLJQBI-RUDMXATFSA-N 274.320 2.931 30 50 CFEA N#CCSCCCn1cc(C#N)c(=O)c2ccccc21 193488623 BGIWNBFPWPFSGR-UHFFFAOYSA-N 283.356 2.520 30 50 CFEA C=CCSc1nc(O)c(CC)c(=O)n1[C@H](C)CC 2493842 SQBAWYKPTIKLLW-SECBINFHSA-N 268.382 2.760 30 50 CFEA C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](N2CCCC2=O)CC1 412835853 GEVNOCOUMNPJIC-PBHICJAKSA-N 292.423 2.592 30 50 CFEA C=C/C(O)=N/[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 328598520 MLHMIEQGYWYYNY-CQSZACIVSA-N 276.311 2.762 30 50 CFEA C#CC(C)(C)n1cc(Oc2ccccc2)c(=O)c(C(=O)O)c1 65395904 MJSWVFIBTNHKOR-UHFFFAOYSA-N 297.310 2.707 30 50 CFEA COc1ccc2c(Cl)c(C#N)cnc2c1[N+](=O)[O-] 214469515 LUUIECUDCIXRMO-UHFFFAOYSA-N 263.640 2.677 30 50 CFEA N#Cc1cncc(NC[C@H]2CC[C@@H](c3ccccc3)O2)n1 575603901 SHGMYFFTDWDHKG-CABCVRRESA-N 280.331 2.680 30 50 CFEA Cc1cc(C)c(C(=O)/C=C/c2cccs2)c(=O)[nH]1 13637798 ZCUVJUPDUWINDW-AATRIKPKSA-N 259.330 2.949 30 50 CFEA C#CCCC1(CCC(=O)NCc2cccc(N(C)C)c2)N=N1 952881139 KMQOEJPGEJRYQF-UHFFFAOYSA-N 298.390 2.725 30 50 CFEA COc1ccc(-c2nc(CO/N=C(/N)C(C)C)co2)cc1 133631184 IDWDMWPDWAZORP-UHFFFAOYSA-N 289.335 2.795 30 50 CFEA CCCC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170018720 PKJOQRNUTCQMHV-UHFFFAOYSA-N 289.184 2.724 30 50 CFEA CC[C@@H](C#C[C@@](C)(O)CCC=C(C)C)OC(C)=O 3882082 JRIMDRYHZVUHQU-GJZGRUSLSA-N 252.354 2.829 30 50 CFEA C=C1C[C@@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 606445516 YECSALQWNOVDJE-WBVHZDCISA-N 284.403 2.686 30 50 CFEA CC1(C)OB(c2ccc(F)cc2Cl)OC1(C)C 204589914 ZHPGAWQGOLXMRK-UHFFFAOYSA-N 256.513 2.778 30 50 CFEA C=CCNC(=O)c1ccccc1NC(=O)c1ccc(F)cc1 2838615 CNZKWEXZOJDTQY-UHFFFAOYSA-N 298.317 2.994 30 50 CFEA C=CCOc1c(Cl)cc(CNc2ncn[nH]2)cc1OC 6603454 WQPIKJSYTPRSMI-UHFFFAOYSA-N 294.742 2.644 30 50 CFEA Cc1cccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)c1 9225535 OPLQJJPLUISTOO-BZNIZROVSA-N 294.358 2.855 30 50 CFEA C/N=C(/O)[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 330271440 VYDMJJAZEDLIKH-UXXRCYHCSA-N 292.423 2.679 30 50 CFEA N=C(O)NC1(C(O)=Nc2ccc(F)c(C3CC3)c2)CC1 329842008 OUUPRWCVIUQUOV-UHFFFAOYSA-N 277.299 2.906 30 50 CFEA CC(C)(C)OC(=O)N1CCC(C#N)(c2ccncc2)CC1 139952870 IZZYWTWQOOWXFS-UHFFFAOYSA-N 287.363 2.874 30 50 CFEA O=C1C[C@H](c2ccco2)CC2=N[C@H]3CCCC[C@H]3NC=C12 239284829 CBZHXTFUQISHNY-BNOWGMLFSA-N 284.359 2.965 30 50 CFEA CCCNc1c(N)cc(C#N)cc1Br 95496088 OIPVTRSJJUBKCU-UHFFFAOYSA-N 254.131 2.725 30 50 CFEA Cc1cc(C#N)nc(N2CCSC3(CCCCC3)C2)n1 241644181 POYMWCODBXGTFH-UHFFFAOYSA-N 288.420 2.913 30 50 CFEA CC(C)O[B-](OC(C)C)(OC(C)C)c1nccs1 169951784 MBNMIUVFKYCHGF-UHFFFAOYSA-N 272.199 2.564 30 50 CFEA in-vitro C=C(C)C[C@@H](C)C(=O)NCCC#C[Si](C)(C)C 585127196 SLPBWABEQFEUQJ-CYBMUJFWSA-N 251.446 2.976 30 50 CFEA CC(=O)Nc1ccc(/C=C/C(=O)c2ccccn2)cc1 5186317 NMHVHNWWNOROER-JXMROGBWSA-N 266.300 2.936 30 50 CFEA CCOCCC/N=C(/S)NCCc1ccccc1 8830276 KLZFLPWXPOXBSX-UHFFFAOYSA-N 266.410 2.531 30 50 CFEA CC[C@H](CC#N)NC(=O)c1cc(Br)cs1 183936249 MKDOOCOCFZIZKE-MRVPVSSYSA-N 287.182 2.933 30 50 CFEA C=CC[C@@]1(CO)CCCN(c2cc(C3CC3)ncn2)C1 91645545 KSDZIKPMVFCEED-MRXNPFEDSA-N 273.380 2.509 30 50 CFEA CC1CCC(CC[C@@](C)(O)C#CCN(C)C)CC1 2999642 HLJNBTWVTPADKY-GPANFISMSA-N 251.414 2.909 30 50 CFEA C[C@H](Sc1nc2c(cc1C#N)CCCCC2)C(=O)O 6369573 GTJIZMKGRURWJC-VIFPVBQESA-N 276.361 2.787 30 50 CFEA C[C@@H]1CN(c2ncc(C#N)cc2F)Cc2ccccc2O1 413302954 NJIPMZBQBCJSCM-LLVKDONJSA-N 283.306 2.880 30 50 CFEA CN(C)C(=O)c1ccccc1OCc1ccccc1C#N 344462641 MOOYAFNSWMLBMG-UHFFFAOYSA-N 280.327 2.839 30 50 CFEA Cc1onc(-c2ccccc2)c1B1OC(C)(C)C(C)(C)O1 199462671 YFEHXVPDKIFJTG-UHFFFAOYSA-N 285.152 2.949 30 50 CFEA CCc1nc(C#N)c(NCc2ccc(F)c(F)c2)o1 227155006 JLKOGIMNDPNFIX-UHFFFAOYSA-N 263.247 2.999 30 50 CFEA CC[C@]1(CO)CCCN(c2ccc(F)cc2C#N)C1 274975877 AQKHPSASWSOZCJ-HNNXBMFYSA-N 262.328 2.686 30 50 CFEA C=CCN1C(=O)N[C@H]2C[C@@]1(C)Oc1cc(C)ccc12 1615612213 AIFZUCVNBMTTCW-SWLSCSKDSA-N 258.321 2.746 30 50 CFEA CCCCCCCNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102714547 QMFWWRKULSMUSH-FQUUOJAGSA-N 279.380 2.596 30 50 CFEA CC(=O)/N=C1\NC(=O)/C(=C/c2cccc3ccccc23)S1 71363 UZQOTGAFQHCPES-ZROIWOOFSA-N 296.351 2.946 30 50 CFEA C=CCCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 14977791 ZPAAKFIGXGEFPV-KRWDZBQOSA-N 286.419 2.776 30 50 CFEA CC1(C)OB(c2ccc(Cl)c(C#N)c2)OC1(C)C 169978476 YVINOEQKCKMTTK-UHFFFAOYSA-N 263.533 2.511 30 50 CFEA N#Cc1cnc2cc(-c3ccc(Cl)cc3)nn2c1N 780711 FXPMYRPOHGJWIA-UHFFFAOYSA-N 269.695 2.504 30 50 CFEA Cc1nn(CC#Cc2ccc(F)cc2)c(C)c1[N+](=O)[O-] 135229151 JFDQJHXOZPINER-UHFFFAOYSA-N 273.267 2.599 30 50 CFEA COC(=O)c1scc(C#N)c1-n1c(C)ccc1C 4089758 OPXIDEHXGHBBBN-UHFFFAOYSA-N 260.318 2.814 30 50 CFEA CC(O)=Nc1ccn([C@@H]2CCN(Cc3cccnc3C)C2)n1 328626282 LMSWVOPCZQGELB-OAHLLOKOSA-N 299.378 2.641 30 50 CFEA CC(C)(C)OC(=O)N[C@@H](/C=N/O)Cc1ccccc1 35287548 OLINQFXDWRSOSY-JXCQQFQQSA-N 264.325 2.582 30 50 CFEA CO[C@@H]1CCC[C@@H]1OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 241684825 QFLWHBZJZXQNQR-JJXSEGSLSA-N 285.343 2.772 30 50 CFEA CCCCCCCCCCCCNC(=O)[C@@H](N)COC 43439881 ZOIBDVACCGCQAE-HNNXBMFYSA-N 286.460 2.997 30 50 CFEA CC1(C)OB(c2ccc(Br)cc2)OC1(C)C 169743850 AZCNDGAXOZWQPV-UHFFFAOYSA-N 282.974 2.748 30 50 CFEA in-vitro O=C1CC/C(=N/OCC(F)(F)F)c2ccccc2N1 1775996442 KMHZSRBDWOBQRT-YVLHZVERSA-N 272.226 2.702 30 50 CFEA Cc1nnc(NC[C@@H]2CCCC2(F)F)c(C#N)c1C 390918180 FUNYCNIRNWTRBP-JTQLQIEISA-N 266.295 2.812 30 50 CFEA Cc1cc(C)c(C#N)c(N(C)CCN(C)C2CCCC2)n1 670442821 OUIAHCCOUWYOIL-UHFFFAOYSA-N 286.423 2.881 30 50 CFEA CC[C@@H](Nc1ncc(C#N)c(N)n1)c1nc(C)c(C)s1 1506402444 SFGPUXDTGVAMHL-SNVBAGLBSA-N 288.380 2.567 30 50 CFEA C=CCn1ncc(Cc2cnn(CC=C)c2C)c1C 181104 NYSSGNIDJQDYKE-UHFFFAOYSA-N 256.353 2.659 30 50 CFEA Cc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 4948421 VNMYZJCLHZUPQG-NTUHNPAUSA-N 290.235 2.850 30 50 CFEA O=C1O[C@@H](c2ccccc2)C(C(=O)c2ccccc2)=C1O 100573511 IBLSDYDFLPXUPW-INIZCTEOSA-N 280.279 2.980 30 50 CFEA C=C(C)CN(C)CCC(=O)NC1CCCCCC1 65466137 ZXAIAVBYEYTXJA-UHFFFAOYSA-N 252.402 2.723 30 50 CFEA C#C[C@H](NC(=O)Nc1cnn(Cc2ccccc2)c1)C(C)C 253425822 WCLMLGQLEWICHL-INIZCTEOSA-N 296.374 2.711 30 50 CFEA Cc1nc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2o1 219070927 CZMCPWSXFGEFJE-UHFFFAOYSA-N 277.104 2.575 30 50 CFEA N#Cc1cc(N2CC[C@@H]3C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 596511849 QWCNIHJBEQCDEJ-ZYHUDNBSSA-N 294.314 2.861 30 50 CFEA COc1ccc(/C=C/C(=O)c2cccnc2)cc1OC 4949678 PDSRGLUXNFRKQM-FNORWQNLSA-N 269.300 2.995 30 50 CFEA CN(/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1 33837415 OLHPHMNXKNGHBB-XNTDXEJSSA-N 271.276 2.771 30 50 CFEA N#Cc1cccc(NC(=O)NCCC23CCCN2CCC3)c1 95519973 GZXWYQLXFVQKNH-UHFFFAOYSA-N 298.390 2.698 30 50 CFEA CC1(C)CCCN(C(=O)c2cnc(C3CC3)nc2)[C@@H]1C#N 296671225 KTSAPPKPKBWFGF-CYBMUJFWSA-N 284.363 2.508 30 50 CFEA COc1cc(B2OC(C)(C)C(C)(C)O2)cc(OC)c1Cl 575442774 ZMHQKAJULHZLLF-UHFFFAOYSA-N 298.575 2.656 30 50 CFEA Cc1cn2cc(B3OC(C)(C)C(C)(C)O3)cc(Cl)c2n1 1772798124 ANVDOCCRBSWHIO-UHFFFAOYSA-N 292.575 2.595 30 50 CFEA CC1=C(C)/C(=N\OC(=O)Cc2ccccc2)C=CC1=O 101998 GGRCFZOEHDZPMQ-VKAVYKQESA-N 269.300 2.604 30 50 CFEA N/C(=N\OC(=O)c1ccc2ccccc2c1)c1ccncc1 13634349 NAQYUIOGSQVZRO-UHFFFAOYSA-N 291.310 2.712 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N1Cc2ccccc2NC(=O)[C@H]1C 585122462 KZRQCIBSIDIUCT-CHWSQXEVSA-N 286.375 2.958 30 50 CFEA Cc1cnc([C@@H](C)N2CCc3c(sc(N)c3C#N)C2)o1 1413075563 OAHUYDMKTPQMAK-SECBINFHSA-N 288.376 2.618 30 50 CFEA C=CCOc1ccc(C(=O)NCc2ccco2)cc1 4868386 BBISJTNJWCLANT-UHFFFAOYSA-N 257.289 2.774 30 50 CFEA CC#CCN(Cc1ccco1)c1ncnc2oc(C)nc12 55393023 GBAKHOVYRQLEPR-UHFFFAOYSA-N 282.303 2.549 30 50 CFEA CC(C)(C)[C@@](C)(C#N)NC(=O)[C@H]1CCCc2cccnc21 252500951 UACHFEBZZDZHAS-SUMWQHHRSA-N 285.391 2.946 30 50 CFEA O=C(O)c1cccc(NC=C2C(=O)c3ccccc3C2=O)c1 2561820 VRPYJIICVOYEQG-UHFFFAOYSA-N 293.278 2.760 30 50 CFEA N#Cc1cnccc1NC(=O)c1coc(C2CCCC2)n1 253398520 WOPGOHKZBQTNOO-UHFFFAOYSA-N 282.303 2.851 30 50 CFEA Cc1cnc(/C(O)=N/Cc2sc(C)nc2C)c(O)c1 330663523 QDKMBSLCOAQMAF-UHFFFAOYSA-N 277.349 2.674 30 50 CFEA Cc1ccccc1[C@]1(O)CCN(Cc2cccc(C#N)c2)C1 215594461 RDKHEWWYNWQXPQ-IBGZPJMESA-N 292.382 2.960 30 50 CFEA N#Cc1cc(Br)c(O)cc1Br 98213426 YVLPVZUEQVYPHU-UHFFFAOYSA-N 276.915 2.789 30 50 CFEA C=CCC(O)(CC=C)CN[C@@H]1CCN(c2ccccc2)C1 820449635 ONWFDWINFSCTER-MRXNPFEDSA-N 286.419 2.738 30 50 CFEA CCCCc1ncc(CN2CCC[C@@](C)(C#N)C2)[nH]1 670449453 ZCNVDKZMPZDUTI-HNNXBMFYSA-N 260.385 2.878 30 50 CFEA CC(C)C#CC(=O)N1CC(C)(C)[C@@H]1c1nccn1C1CC1 952895672 VLFZLBITFSIVLR-HNNXBMFYSA-N 285.391 2.787 30 50 CFEA C[C@@H](OC(=O)Cc1cccc(OCC#N)c1)c1cccnc1 225522875 QSPLCMFGRMCPKP-CYBMUJFWSA-N 296.326 2.831 30 50 CFEA CCOC(=O)C[C@H]1CCCCN1Cc1cccc(C#N)c1 72150675 SMBGIDOCRBQSSI-MRXNPFEDSA-N 286.375 2.866 30 50 CFEA Cc1cc(N2CCC(n3ccc(C)n3)CC2)c(C#N)cn1 425256174 GZIJICXVFZOSNS-UHFFFAOYSA-N 281.363 2.608 30 50 CFEA CCC[C@@H]1C[C@@H]1N/C(O)=N/[C@@H]1CCC[C@@H]2OCC[C@H]21 329922999 IGTPPMYVPUMDSF-BJJPWKGXSA-N 266.385 2.636 30 50 CFEA C[C@H](c1nncn1C)N1CC=C(c2ccc(C#N)cc2)CC1 367874098 KZIJDNAWWSTRKD-CYBMUJFWSA-N 293.374 2.537 30 50 CFEA N#Cc1ccnc(N2CCC[C@H](c3ccccc3)C2)n1 450539720 LEXJHWMFAASNOB-AWEZNQCLSA-N 264.332 2.732 30 50 CFEA CCCCCCCCCCC(=O)N[C@H]1CCOC1=O 42764884 YAWJNUREPGJHSG-ZDUSSCGKSA-N 269.385 2.949 30 50 CFEA in-vitro C[C@H](CCc1ccccc1)N1CCCn2nc(C#N)cc2C1 670458619 YQROHYZZDWUZBM-OAHLLOKOSA-N 294.402 2.982 30 50 CFEA c1ccc(C/N=C2/NC[C@H](C3CCCCC3)N2)cc1 1775998370 XLWDJRABEWJVFZ-OAHLLOKOSA-N 257.381 2.684 30 50 CFEA Cn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/CCC1=CCCC1 328637600 WBKMXSYJZSXZBD-UKRRQHHQSA-N 289.379 2.955 30 50 CFEA C=CCn1c(-c2ccc(OC)c(OC)c2)n[nH]c1=S 245347 JCRDSESGVZXDSC-UHFFFAOYSA-N 277.349 2.811 30 50 CFEA CCCNC1(C#N)CCN(Cc2ccccc2)CC1 1698824 UKAHSGVHHIAEEA-UHFFFAOYSA-N 257.381 2.544 30 50 CFEA COc1ccc(C(=O)/C=C/NCC(=O)c2ccccc2)cc1 4955551 RARUXGXNELHDTK-VAWYXSNFSA-N 295.338 2.864 30 50 CFEA CCOC(=O)c1ccc(-c2ncccc2C#N)cc1 66323343 SEVLKWHXNIQVSH-UHFFFAOYSA-N 252.273 2.797 30 50 CFEA Nc1ccnc(C(F)(F)C(F)(F)C(F)(F)F)c1 144844288 WQZOSTMPRFRBTQ-UHFFFAOYSA-N 262.128 2.953 30 50 CFEA CC1(C)OB(c2cc(Cl)cc(F)c2F)OC1(C)C 252492371 MKDFAVKAJNKOJD-UHFFFAOYSA-N 274.503 2.917 30 50 CFEA CCc1cc(C#N)ccc1NC(=O)N1CCSCC1 299787058 OVIORPAGOSPFJM-UHFFFAOYSA-N 275.377 2.701 30 50 CFEA O=C(N=C1CCN(c2ccccc2)N1)c1ccccc1F 828180144 CTYDVUYLAQQKRN-UHFFFAOYSA-N 283.306 2.779 30 50 CFEA CC(C)(C)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169745731 QJBWHEPPDGGWLQ-UHFFFAOYSA-N 289.228 2.874 30 50 CFEA in-vitro O=C(O)Cc1ccc(/C(=N\O)c2ccccc2)s1 291810 ABOQOKLVSWHURM-YPKPFQOOSA-N 261.302 2.602 30 50 CFEA CC1(C)Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2O1 207921781 LXNPJDDEOQMAOP-UHFFFAOYSA-N 274.169 2.699 30 50 CFEA in-vitro CC1(C)OB(c2ccc3cc(N)ccc3c2)OC1(C)C 201843282 YYPIFYFMBFDWRF-UHFFFAOYSA-N 269.153 2.721 30 50 CFEA CN(C)/C=C/C(=O)c1ccc(OCCCF)cc1 4092156 VDAYLYBKBCXSQO-CSKARUKUSA-N 251.301 2.683 30 50 CFEA CN(C)C(=NCc1cc2c(s1)CCSC2)N(C)C 170666617 VXQUXCKENRYMTO-UHFFFAOYSA-N 283.466 2.517 30 50 CFEA C[C@@H](NC(=O)CC#N)c1nc2cc(Cl)c(Cl)cc2[nH]1 585087864 YRZVLIBUXJYJQN-ZCFIWIBFSA-N 297.145 2.961 30 50 CFEA O=c1[nH]c(=S)[nH]cc1C(F)(F)C(F)(F)C(F)(F)F 5313994 ZTESDHKSKFXMLG-UHFFFAOYSA-N 296.167 2.722 30 50 CFEA C=C(CN1C(=O)c2ccccc2C1=O)c1ccccc1 409698 CDWLDGLHJIIQER-UHFFFAOYSA-N 263.296 2.996 30 50 CFEA CCc1ccccc1OC1CN(Cc2cc(C#N)n(C)c2)C1 72129455 ZRZNVFHGFOKWDI-UHFFFAOYSA-N 295.386 2.722 30 50 CFEA N#Cc1cc(F)cc(-c2nc(-c3ccccn3)no2)c1 95554357 GELAFISMURFRCA-UHFFFAOYSA-N 266.235 2.809 30 50 CFEA in-vitro CC1(C)OB(c2ccc3c(c2)CCCC3=O)OC1(C)C 169993213 FRCZOTWQPDOGQK-UHFFFAOYSA-N 272.153 2.505 30 50 CFEA in-vitro C[C@@H](N(C)S(=O)(=O)Cc1csc(C#N)c1)C1(C)CC1 585135191 KISFGIXWKNSQMO-SNVBAGLBSA-N 298.433 2.570 30 50 CFEA CC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(Cl)c1 440085 QHCZZONAYLTQAS-GFCCVEGCSA-N 264.712 2.557 30 50 CFEA COC(=O)c1csc([C@H](C#N)C2CCCC2)n1 167882865 JDBUPBODZHHTLC-SECBINFHSA-N 250.323 2.727 30 50 CFEA CN(Cc1ccccc1-c1ccccc1)C(=O)[C@@H]1CO1 1875373270 XIIZHJLSGWYPAA-INIZCTEOSA-N 267.328 2.711 30 50 CFEA Fc1cccc(F)c1[C@@H]1CN/C(=N/Cc2ccccc2)N1 1775993610 HPWGMWXTNDOPQD-AWEZNQCLSA-N 287.313 2.755 30 50 CFEA C=CCC1(S(=O)(=O)N[C@H]2CCc3cc(F)ccc32)CC1 1190834797 PBFPDIGCWWPDGR-AWEZNQCLSA-N 295.379 2.841 30 50 CFEA COc1cc(C=O)ccc1OCc1ccc(C#N)cc1 2862268 XBSTYJDZJWEKQG-UHFFFAOYSA-N 267.284 2.958 30 50 CFEA C#CCOc1ccc2c3c(c(=O)oc2c1)CCCC3 2883606 UKEUVKWLWUFVAF-UHFFFAOYSA-N 254.285 2.684 30 50 CFEA biogenic Cc1cc(C)c(C(=O)/C=C/c2ccccc2)c(=O)[nH]1 3996187 IJWCDBDRGFHNJX-CMDGGOBGSA-N 253.301 2.888 30 50 CFEA O/N=C1/C[C@](O)(C(F)(F)F)Oc2ccc(Cl)cc21 100450729 XCZYMAYEBAWIIK-KIKKFWRUSA-N 281.617 2.552 30 50 CFEA N#Cc1ccc(NC(=O)NC2(C3CC3)CCOCC2)cc1 253428738 OAEPAPYHJPZFOO-UHFFFAOYSA-N 285.347 2.639 30 50 CFEA C#Cc1ccc(NS(=O)(=O)c2ccccc2F)cc1 3997422 RDHKLSKOWVHBLK-UHFFFAOYSA-N 275.304 2.608 30 50 CFEA O/C(N=c1cc[nH]cc1F)=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1 329444318 CCMSIKUHSXLJPQ-QJPTWQEYSA-N 277.343 2.937 30 50 CFEA COc1ccc(N2C(=O)CCC(C(C)=O)=C2C)cc1 285541 OTPBANMXEGJAGT-UHFFFAOYSA-N 259.305 2.685 30 50 CFEA CC1(C)OB(c2ccc3c(c2)CCCC3)OC1(C)C 169936227 CAEUETONSQGECS-UHFFFAOYSA-N 258.170 2.865 30 50 CFEA C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1O 299900186 NFRPMXFSGDXSSN-NOZJJQNGSA-N 284.281 2.784 30 50 CFEA O=C(Cc1ccc(F)cc1)N(O)Cc1ccccc1 900087526 OGRFHNOWUAWDGV-UHFFFAOYSA-N 259.280 2.786 30 50 CFEA CCCCCCC[C@H]1NC(=O)NC(C)=C1C(=O)OCC 33355601 OEHIPDDJVBGKTR-GFCCVEGCSA-N 282.384 2.865 30 50 CFEA Cc1cc(C#N)cnc1C(=O)N1CC=CC12CCCCC2 912472809 ZQDZGYWKSJEKGR-UHFFFAOYSA-N 281.359 2.977 30 50 CFEA CCCc1oc(C#N)cc1CSc1nnc(N)s1 1431680 HAKUYQJDKIRQPX-UHFFFAOYSA-N 280.378 2.830 30 50 CFEA C=CCOc1cccc(C(=O)NCc2ccccn2)c1 4841751 GIPAQGZAKGQWHY-UHFFFAOYSA-N 268.316 2.576 30 50 CFEA CC1(C)OB(c2cc(Cl)c3[nH]ncc3c2)OC1(C)C 170007847 OIFCLSPBFZQITN-UHFFFAOYSA-N 278.548 2.516 30 50 CFEA C=CCN(CC(=O)OCC)Cc1ccc(C)s1 65398388 JOAOVPUHSMMECA-UHFFFAOYSA-N 253.367 2.608 30 50 CFEA OC(=Nc1scnc1C1CC1)c1csnn1 328913977 IOZIVLKMQVJVRO-UHFFFAOYSA-N 252.324 2.508 30 50 CFEA N#CCC1CCN(C(=O)[C@@H]2CCCCCC(=O)C2)CC1 336099655 LMDNXYNRYPYEMR-CQSZACIVSA-N 276.380 2.678 30 50 CFEA COC(=O)c1cc(/C=C2/Cc3ccccc3C2=O)c[nH]1 170656985 JWHFCFHNQVQZIC-SDQBBNPISA-N 267.284 2.624 30 50 CFEA Cn1c(S[C@H]2CC[C@H](C#N)C2)nnc1-c1cccnc1 278551026 LMYCSCISLHCQEQ-JQWIXIFHSA-N 285.376 2.661 30 50 CFEA Cc1cccc(C(=O)O/N=C2\C[C@@H](C)N(C)C[C@@H]2C)c1 13556169 WSBKLQGARDLANT-LTUGMUNRSA-N 274.364 2.868 30 50 CFEA Cc1c(Cl)cnc(NCc2ncnn2C(C)C)c1C#N 225812124 OSJDRQKNEODCPI-UHFFFAOYSA-N 290.758 2.700 30 50 CFEA N#CC1(COC(=O)c2c[nH]nc2-c2ccco2)CCC1 869758782 IMUGENXNLNDUOH-UHFFFAOYSA-N 271.276 2.520 30 50 CFEA Cc1nocc1C(=O)/C=C/c1cnc(C(C)(C)C)nc1 888099754 WOQRTVJCMMJOHN-AATRIKPKSA-N 271.320 2.967 30 50 CFEA CC(C)NC(=S)NN=C1C[C@@H]2C[C@@H](C)C[C@@H]2C1 2325751008 SEVIYOFGIOIKHI-JGPRNRPPSA-N 253.415 2.671 30 50 CFEA COc1ccccc1NC=C1C(=O)CC(C)(C)CC1=O 257501 IZQDESPXCLEWNG-UHFFFAOYSA-N 273.332 2.949 30 50 CFEA C=CCN(C)C(=O)NC1CCC(N2CCC(C)CC2)CC1 119555994 MAQVKSMQVBJPBL-UHFFFAOYSA-N 293.455 2.857 30 50 CFEA C=CC[C@@H](CC)NC(=O)NCc1ccc(C#N)cc1F 253425959 KJJWWVUTMQFZRQ-CYBMUJFWSA-N 275.327 2.851 30 50 CFEA COc1cccc(CNc2ccc(C#N)cc2)c1O 41864 WEIZGEWNHHZZDU-UHFFFAOYSA-N 254.289 2.885 30 50 CFEA CC[C@@H](CC#N)NC(=O)Nc1cc(-c2nnco2)ccc1C 157427038 WLWHTTCGAUCVLL-LBPRGKRZSA-N 299.334 2.859 30 50 CFEA O=[N+]([O-])c1cccc(/C=N/c2ccc(CCO)cc2)c1 18068567 RTUMGXQMNAPQLD-LFIBNONCSA-N 270.288 2.880 30 50 CFEA N#Cc1ccc(-c2ccc([C@@H]3CCC(=O)N3)cc2)nc1 1875331238 WDQSWEFWYHCQPP-HNNXBMFYSA-N 263.300 2.571 30 50 CFEA O=C1C=C(Nc2ccc([N+](=O)[O-])cc2)c2ccccc2C1=O 100487159 WLVJOAGYONSXGC-UHFFFAOYSA-N 294.266 2.813 30 50 CFEA N#Cc1ccncc1[S@](=O)c1ccc(Cl)cc1 4052414 ZAJMZTMMKZNWMH-KRWDZBQOSA-N 262.721 2.773 30 50 CFEA C=CCN(CC#Cc1ccccc1)C(=O)c1ccco1 71750902 NNXDYHLYZGXJRF-UHFFFAOYSA-N 265.312 2.960 30 50 CFEA N#Cc1ncccc1CC[C@@H]1COc2ccccc2O1 244866700 WAZOOLOIRXSGLW-CYBMUJFWSA-N 266.300 2.726 30 50 CFEA C#CCOc1cc(C2(C(F)(F)F)N=N2)ccc1C(=O)O 1501018250 NNGSWZWUOPOVNB-UHFFFAOYSA-N 284.193 2.578 30 50 CFEA CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC2(CC#N)CC2)C1 585117000 ONLXKGDMQAMUDU-LSDHHAIUSA-N 291.439 2.697 30 50 CFEA C#CCCC1(CCC(=O)N2CCC[C@H]2C(F)F)N=N1 952880027 CXLZUIVRWWINEO-JTQLQIEISA-N 269.295 2.598 30 50 CFEA C[C@H](NC(=O)[C@@H]1CO1)c1ccc(Cl)cc1Cl 1875372972 QQIFHVVTCUZXAW-WKEGUHRASA-N 260.120 2.569 30 50 CFEA O=C1N[C@@H](c2ccccc2)C(C(=O)c2ccccc2)=C1O 6493981 IHNBMKPPKXUWRC-AWEZNQCLSA-N 279.295 2.553 30 50 CFEA CSc1ccccc1C(=O)N1CCC(C#N)CC1 20136754 VCFFIKPLDLIGRB-UHFFFAOYSA-N 260.362 2.784 30 50 CFEA Nc1ccc(C(F)(F)C(F)(F)C(F)(F)F)nc1 306145340 BYLZHFMTBONWJX-UHFFFAOYSA-N 262.128 2.953 30 50 CFEA N#Cc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1 37400848 HRUUSKALOILBKF-UHFFFAOYSA-N 263.256 2.800 30 50 CFEA C=CCC(C)(C)c1noc(-c2ccc(C(N)=O)s2)n1 340780792 SQOOSGBJNOWJJQ-UHFFFAOYSA-N 277.349 2.751 30 50 CFEA CNC1CCN(c2cccc(Br)c2C#N)CC1 95495728 YVFIMMHTNABZHY-UHFFFAOYSA-N 294.196 2.509 30 50 CFEA C=C(Br)CN[C@@H](COC)c1ccccc1 181678409 XHLAJCONBZAPHP-LBPRGKRZSA-N 270.170 2.872 30 50 CFEA C=CCN(Cc1cccc(OC)c1)[C@@H](CC)C(=O)O 1529095738 VQQFFHWJTLJRCY-AWEZNQCLSA-N 263.337 2.546 30 50 CFEA N#CCc1cccc(N2CCC[C@H]2[C@H]2CCCOC2)n1 1875266458 UGRAXPMCVDYOCR-ZFWWWQNUSA-N 271.364 2.543 30 50 CFEA CC#CC(=O)N(Cc1ccc(F)cc1F)CC(C)C 1875363097 LGRJUVRWNYISFU-UHFFFAOYSA-N 265.303 2.973 30 50 CFEA O=C(O)COc1c(F)c(F)c(C(F)(F)F)c(F)c1F 2973043 AOAVEFSVSKMIAF-UHFFFAOYSA-N 292.106 2.725 30 50 CFEA CCOC(=O)C/C(=N/c1cccc([N+](=O)[O-])c1)OCC 101133813 BQQOVOHGXOSHIZ-OWBHPGMISA-N 280.280 2.615 30 50 CFEA N#Cc1cc2c(nc1NC(=O)CC[C@H]1CCOC1)CCCC2 122040463 SGZIOPOWHKXLMF-LBPRGKRZSA-N 299.374 2.587 30 50 CFEA C=CCC[C@@](C)(C#CCN1CCCCC1)OC(C)=O 2495987 ZRSPQCPIEWZCGP-INIZCTEOSA-N 263.381 2.764 30 50 CFEA C=C(C)C/N=C(/N)Nc1ccc(OC(F)(F)F)cc1 162451298 OINRQKOOZJJTLX-UHFFFAOYSA-N 273.258 2.888 30 50 CFEA C#C[C@H]1CCCCN1C(=O)c1ccc(-c2cn[nH]c2)cc1 1123984034 QWHAQPQLTGJTRW-INIZCTEOSA-N 279.343 2.705 30 50 CFEA N=C(N)N/N=C/c1ccc(Oc2ccccc2F)c(F)c1 1875256790 XCOGPONJVRVQKP-UFWORHAWSA-N 290.273 2.574 30 50 CFEA Cc1ccc(CNC(=O)N2CCC[C@H](C#N)C2)cc1F 426651165 ACDSVKYVMWJCMN-CYBMUJFWSA-N 275.327 2.579 30 50 CFEA N#Cc1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12 1323945 WVNWOBVYCHLPGW-UHFFFAOYSA-N 280.131 2.639 30 50 CFEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccoc1C 281005592 OEYRSDGMWKJDLS-ZFWWWQNUSA-N 292.379 2.711 30 50 CFEA Cc1ccccc1OCC[N+]1C(=O)C(=NO)c2ccccc21 343516939 MDFWSVBTQPLOAU-UHFFFAOYSA-N 296.326 2.564 30 50 CFEA C=CCOc1ccc(Cl)cc1CN(C)[C@@H](C)CC(N)=O 952869642 XLHVOZIRYBMFQF-NSHDSACASA-N 296.798 2.601 30 50 CFEA N#Cc1cc2cc(Br)cc3c2n(c1=O)CCC3 170622747 TUAQGLYGMSJNTI-UHFFFAOYSA-N 289.132 2.582 30 50 CFEA C=C(C)[C@@H](NC(=O)/C=C/CN(C)C)c1ccc(F)c(F)c1 274796961 OEIWANVBEXEQKW-SQRWCISFSA-N 294.345 2.816 30 50 CFEA C=CCc1cc(OC)ccc1OCCn1ccnc1 235858 JBKLWIVELHJKPT-UHFFFAOYSA-N 258.321 2.699 30 50 CFEA CCOC(=O)[C@@H](C#N)C(=S)Nc1ccc(OCC)cc1 3122996 DOVVRNHPJOAENT-LBPRGKRZSA-N 292.360 2.527 30 50 CFEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)C(=O)c1ccco1 67714471 FNOPQZZBLLSUTM-VXGBXAGGSA-N 259.305 2.584 30 50 CFEA Cc1nc2c(C#N)ncn2c(C)c1Cc1cccc(F)c1 1383845 YKZYJSVAQUQDHC-UHFFFAOYSA-N 280.306 2.948 30 50 CFEA Cc1ccn2c(NCc3ccc(C#N)s3)nnc2c1 125929591 PSNJINDIKNJZPA-UHFFFAOYSA-N 269.333 2.583 30 50 CFEA CC#CC(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1 802186679 OCHPTUIEIKFVHU-UHFFFAOYSA-N 281.359 2.573 30 50 CFEA CN(C)c1cccc(C(=O)N2CCC[C@](C)(C#N)C2)c1 215820017 IGJGZJQKVRDENH-MRXNPFEDSA-N 271.364 2.518 30 50 CFEA O=S(=O)(N/N=C/c1ccc(Cl)cc1)c1ccccc1 1386349 MIJDWPSLFLIJQJ-XNTDXEJSSA-N 294.763 2.652 30 50 CFEA COc1cc(OC(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 169951839 DFTUUNAEKXIMST-UHFFFAOYSA-N 292.184 2.782 30 50 CFEA Cc1ccc(-c2nnc(S)n2/N=C/c2cccn2C)cc1 8969441 BVSXCOIWZOLMEW-MHWRWJLKSA-N 297.387 2.763 30 50 CFEA CC(C)=CC/N=C(/O)c1coc(C2CCOCC2)n1 330401886 APTQAIYRTDWUNZ-UHFFFAOYSA-N 264.325 2.839 30 50 CFEA CC(C)C(C)(C)S(=O)(=O)Cc1ccccc1C#N 339112157 SIPRDJKUPOASLT-UHFFFAOYSA-N 265.378 2.908 30 50 CFEA Cc1oc(C#N)cc1C(=O)N1CC[C@H](O)c2ccccc2C1 373861742 AGMDSDFXIIOXTH-INIZCTEOSA-N 296.326 2.539 30 50 CFEA COC(=O)c1cc(CO)cc(-c2cccc(C#N)c2)c1 136106833 HBXPSWJWZGRZCS-UHFFFAOYSA-N 267.284 2.504 30 50 CFEA C[C@@H](C(=O)[C@@H](C#N)C(=O)NC1CC1)c1cc2ccccc2o1 170652288 DJOSTXIXSBVPOO-ZWNOBZJWSA-N 296.326 2.524 30 50 CFEA CN(C)c1ccc(/C=N/S(=O)(=O)c2cccs2)cc1 55559 YSIDFYUEZXZMAM-GXDHUFHOSA-N 294.401 2.622 30 50 CFEA CCOC(=O)/C(=C/c1c[nH]c2ccccc12)C(C)=O 448350 LQYONOZRZQUFGB-MDWZMJQESA-N 257.289 2.703 30 50 CFEA CC#CC(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 854815848 AFMMKLHNKVIWEX-SECBINFHSA-N 275.739 2.759 30 50 CFEA Cc1cc(C#N)cnc1N1CCC[C@H]1[C@@H]1CCCOC1 1875294333 FINXELDZNBFRQK-CABCVRRESA-N 271.364 2.657 30 50 CFEA CC#CC(=O)N[C@@H](Cn1cnc2cc(C)c(C)cc21)C1CC1 1875363235 JZRGYKIXDBDIAC-INIZCTEOSA-N 295.386 2.571 30 50 CFEA C=CCN(CC=C)S(=O)(=O)c1ccc(Cl)cc1 101221 IFGFZPYWIAFNPW-UHFFFAOYSA-N 271.769 2.703 30 50 CFEA Cc1cc(C)c(C#N)c(NCc2cccc(O)c2)n1 180419331 SZCLMBTYSCCRHL-UHFFFAOYSA-N 253.305 2.888 30 50 CFEA C=C(C)[C@@H](NC(=O)c1cc[nH]n1)c1ccc(F)c(F)c1 186058660 FXKPWKKNRJXBJB-CYBMUJFWSA-N 277.274 2.735 30 50 CFEA CC1(C)OB(c2cc(C#N)cc(C(F)(F)F)c2)OC1(C)C 169809455 PDRFNTUDMWZDSL-UHFFFAOYSA-N 297.085 2.876 30 50 CFEA C=CCCC(=O)N1CCO[C@@H](Cc2cccc(F)c2)C1 12570559 GSKKKFASPUBMRM-HNNXBMFYSA-N 277.339 2.562 30 50 CFEA Cc1cncc(CN2CCO[C@H](c3cccc(C#N)c3)C2)c1 253429858 UZNRHEBYADUQOA-SFHVURJKSA-N 293.370 2.835 30 50 CFEA CCOc1ccccc1NC(=O)N1CCC[C@H](C#N)C1 96138691 GMRAJJUXZXAARU-GFCCVEGCSA-N 273.336 2.853 30 50 CFEA Cc1c(C#N)c2ccccc2n1CC(=O)NCc1ccco1 29031 UKULNGJMUIEEMS-UHFFFAOYSA-N 293.326 2.731 30 50 CFEA Cc1ccc([C@H](CCCC#N)N[C@H]2CCC(=O)N(C)C2)cc1 225633594 QEXVTOQNNYZNNW-IRXDYDNUSA-N 299.418 2.940 30 50 CFEA Cc1cc(Br)ccc1NC(=O)CC#N 19476389 BZBWLUDBMZWJPV-UHFFFAOYSA-N 253.099 2.610 30 50 CFEA C=CCCC1(O)CCN(C(=O)OC(C)(C)C)CC1 197951452 VUMAMSRWNDXSRV-UHFFFAOYSA-N 255.358 2.715 30 50 CFEA CO[C@H](C)c1cccc(-c2cnc3c(C#N)cnn3c2)c1 96164476 HVOCHHHDXBXICE-LLVKDONJSA-N 278.315 2.975 30 50 CFEA N#CC1(c2ccccc2)CCN(CCc2cn[nH]c2)CC1 243901830 BEMAPIASSHILOZ-UHFFFAOYSA-N 280.375 2.510 30 50 CFEA O=C1C=C[C@]2(CCCO2)[C@H]2[C@H]1[C@H]1O[C@H]2c2ccccc21 257358895 XAAVGILRPJBJBE-QUSNUVHPSA-N 268.312 2.733 30 50 CFEA C[C@@H](C(=O)[C@H](C#N)C(=O)NC1CC1)c1cc2ccccc2o1 170652292 DJOSTXIXSBVPOO-MFKMUULPSA-N 296.326 2.524 30 50 CFEA C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCc2cccnc21 585122572 BKYUMSJIENDSDC-OCCSQVGLSA-N 258.365 2.830 30 50 CFEA COc1ccc(/C(N)=N/OC(=O)c2cc(C)cc(C)c2)cc1 5013940 UAEUWERBCGTJKP-UHFFFAOYSA-N 298.342 2.789 30 50 CFEA O=C1/C(=C\c2ccc(O)c(O)c2)Oc2ccccc21 16052822 HCBULGQMULJTCM-RIYZIHGNSA-N 254.241 2.714 30 50 CFEA Cc1[nH]nc(O)c1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N 2239877 VHBBZGLIENNPFI-ZDUSSCGKSA-N 286.722 2.872 30 50 CFEA COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1O 4204862 FKPKGGGAKSMQEJ-UHFFFAOYSA-N 280.279 2.863 30 50 CFEA biogenic N#CC1(C#N)[C@H]2C=C[C@@H]([C@H]3C4=C(CCCC4)[C@@H]32)C1(C#N)C#N 101043555 DEFLFSUEZFEXPP-CAOSSQGBSA-N 286.338 2.986 30 50 CFEA N#Cc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 128465 LZCKTQWLMDBMKR-UHFFFAOYSA-N 297.383 2.582 30 50 CFEA CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)C1CC1 4727659 XFPCWSONFOGPFN-UHFFFAOYSA-N 289.718 2.527 30 50 CFEA O=C(O)C1(/N=C(/O)c2scnc2Cl)CCCCC1 328592046 RFIXBPJCAMYCKH-UHFFFAOYSA-N 288.756 2.889 30 50 CFEA N#Cc1cnccc1N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 376261505 CIIQAAUIURJTGB-SJORKVTESA-N 293.370 2.556 30 50 CFEA CC1=CC[C@@]2(CC#N)c3ccccc3C(=O)C(=O)[C@H]2C1 71778734 UGRGYXKVSTVLAK-RHSMWYFYSA-N 265.312 2.960 30 50 CFEA CCc1nc(N/C(O)=N/C[C@@]2(C)CCOC2)sc1C 331228847 CEOXATIMRMRWNM-CYBMUJFWSA-N 283.397 2.766 30 50 CFEA COc1ccc(NC(=O)N2CCC(C#N)CC2)c(C)c1 95524415 MYLCTNAIGCNYDO-UHFFFAOYSA-N 273.336 2.771 30 50 CFEA CCOc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1 169905075 VBCLFQLYUBDJKX-UHFFFAOYSA-N 262.158 2.693 30 50 CFEA in-vitro COc1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 5249189 VKRBYIUJUCWEEI-UHFFFAOYSA-N 297.270 2.676 30 50 CFEA C=CCCC(=O)N1CCO[C@H](CCc2ccccc2)C1 11872923 MKDXZCPNMYFGPI-MRXNPFEDSA-N 273.376 2.813 30 50 CFEA Cc1cc(F)ccc1[C@@H](C)NC(=O)c1ccc(C#N)n1C 830346004 BVVVYYMAFBJCKR-LLVKDONJSA-N 285.322 2.835 30 50 CFEA C[C@H]1CC[C@@H]2CNC(=NCC3CC4(C3)CC43CC3)N2C1 2325864111 HCFIKYRGLMEPAU-XCCIUEIHSA-N 273.424 2.626 30 50 CFEA C=CCNC(=S)NC(=O)c1oc2ccccc2c1C 2842286 FEZLCXKQQTURDP-UHFFFAOYSA-N 274.345 2.532 30 50 CFEA C=CCc1ccccc1OCCCNCCCOC 3003232 VJXDFGNBRXBARH-UHFFFAOYSA-N 263.381 2.810 30 50 CFEA CCSc1ncc(-c2cc(C3CC3)nc(N)c2C#N)cn1 67804249 LZQAZADRAXTTSN-UHFFFAOYSA-N 297.387 2.982 30 50 CFEA N#C[C@H]1CCCN(C(=O)NCCc2c[nH]c3ccccc23)C1 426707170 JQMRYZRMMMPEJG-CYBMUJFWSA-N 296.374 2.656 30 50 CFEA Fc1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1 245232564 XQWPPFJWBZMAGP-UHFFFAOYSA-N 297.377 2.977 30 50 CFEA N#CC1CCN(C(=O)c2cccc(-c3cnccn3)c2)CC1 299768212 IAOGCHYGAHGFJF-UHFFFAOYSA-N 292.342 2.519 30 50 CFEA Cc1nc([C@H]2CCCCN2Cc2ccccc2C#N)n[nH]1 408473314 IMJUOZUNHDVUNL-OAHLLOKOSA-N 281.363 2.712 30 50 CFEA Cc1ccc(S(=O)(=O)/N=C(\O)c2cccc(C)c2)cc1 613577 WIMGBACUPNNDSC-UHFFFAOYSA-N 289.356 2.997 30 50 CFEA CCO/C(O)=N/c1nnc(-c2cccc(OC)c2)s1 620075 LOWPJJSDDCRDGQ-UHFFFAOYSA-N 279.321 2.796 30 50 CFEA O=C(O)c1ccc(Cl)nc1N/N=C/c1ccccc1O 4947412 BWXZVGZIQMPZJG-VIZOYTHASA-N 291.694 2.585 30 50 CFEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cc(C)nc(C)n1 65396083 NMTUABJXWRLOFK-TZMCWYRMSA-N 271.364 2.829 30 50 CFEA CC[C@@]1(c2ccc(Br)cc2)O[C@@H]1C#N 306733689 UBMHTQPCFGWJMU-MNOVXSKESA-N 252.111 2.977 30 50 CFEA CCCC(=O)C1=C(C(=O)OC)C(C)(C)C/C1=N/OCC 33837314 REOBKGVCZKSPKB-YBEGLDIGSA-N 281.352 2.648 30 50 CFEA N#Cc1ccsc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 1056330 GTZXTQZDWZBFGM-UHFFFAOYSA-N 287.300 2.709 30 50 CFEA Cc1cc(C)n(/N=C/c2c[nH]c3ccccc23)c(=O)c1 121315 WVKBEHKIRXSRNC-VCHYOVAHSA-N 265.316 2.829 30 50 CFEA Oc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1 2506407 KPIKTUUAXOWXII-CXUHLZMHSA-N 289.335 2.852 30 50 CFEA N#CCc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 110203 LDTKYAHZPNSZHX-UHFFFAOYSA-N 291.310 2.642 30 50 CFEA Cc1ccc(S(=O)(=O)O[C@@H]2CCCCCC2=O)cc1 59238440 WVZOAZUIYHADSM-CQSZACIVSA-N 282.361 2.602 30 50 CFEA Brc1ccc(/N=C2\NCCS2)cc1 20586430 PGYJHZOISFQEMN-UHFFFAOYSA-N 257.156 2.773 30 50 CFEA O=C(/C=C/Nc1nc2ccccc2[nH]1)C(F)(F)F 138489340 HHAQHEJFMPEDFV-AATRIKPKSA-N 255.199 2.620 30 50 CFEA C=C(C)CNC(=O)Nc1ccc2nc(N(C)C)oc2c1 157627997 DOTIOAHEBXLVHK-UHFFFAOYSA-N 274.324 2.591 30 50 CFEA CC[C@@H](CC#N)NS(=O)(=O)c1ccc(C)cc1Cl 186438563 KLNAIYDJBHWHPS-JTQLQIEISA-N 286.784 2.619 30 50 CFEA C=CCN(Cc1ccccc1OC)C(=O)c1cc(N)ccn1 1506398503 QLSAIRMCYQEPSI-UHFFFAOYSA-N 297.358 2.501 30 50 CFEA Cc1ccc(S(=O)(=O)N/N=C/c2sccc2C)cc1 439612 FUVOTSZEERTOGV-NTEUORMPSA-N 294.401 2.677 30 50 CFEA COC(=O)c1ccc(/C=C2\N=C(SC)SC2=O)cc1 457992 ISBSTOOREWIMFJ-YFHOEESVSA-N 293.369 2.807 30 50 CFEA aggregator C=CCN1C[C@@H](C)N(c2nc(C)ncc2Cl)C[C@H]1C 1772709232 IIZOJZPLOZDQMY-GHMZBOCLSA-N 280.803 2.523 30 50 CFEA C=CCn1cc(NC(=O)c2cccc3c(C)[nH]nc23)cn1 1875317122 NVKQXYXXPJJKNX-UHFFFAOYSA-N 281.319 2.506 30 50 CFEA Cc1cc(C#N)nc(N2CC[C@H]2c2ccccc2F)n1 376462850 QKDZNWCILRRDQE-AWEZNQCLSA-N 268.295 2.747 30 50 CFEA CC(=O)OC1=C(CC(C)C)C(=O)c2ccccc2C1=O 402473 SVQGABAJPMGSFZ-UHFFFAOYSA-N 272.300 2.929 30 50 CFEA CNc1oc(/C=C/c2cccc(OC)c2)nc1C#N 4858671 XRUPFTSKEHCLOK-VOTSOKGWSA-N 255.277 2.767 30 50 CFEA COc1ccc(N/N=C(\C(C)=O)C(=O)c2ccccc2)cc1 4949130 AOLJRNHLDXIVGQ-KNTRCKAVSA-N 296.326 2.935 30 50 CFEA Cc1sc(NC(=O)c2c(Cl)cnn2C)c(C#N)c1C 6730904 ANNUERYZXNNYOP-UHFFFAOYSA-N 294.767 2.876 30 50 CFEA C=CC[C@H](NC[C@@H](C)CCc1ccccc1)C(=O)O 426801188 SJVGYWFBEFDYLB-ZFWWWQNUSA-N 261.365 2.874 30 50 CFEA C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)c2ccccc2O1 295527954 RAHLKLVVAGYUQK-QMTHXVAHSA-N 281.315 2.528 30 50 CFEA C=CCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 12380655 HZTYOHFBXHCMPZ-LBPRGKRZSA-N 255.317 2.909 30 50 CFEA Cc1ccsc1[C@@H]1C2=C(CCCC2=O)Nc2ncnn21 13125248 OEWNODJZAJDYNA-LBPRGKRZSA-N 286.360 2.670 30 50 CFEA C=C(COc1ccc(Br)c(F)c1F)C(=O)O 2325769853 ZFOXHTLLKKGMOA-UHFFFAOYSA-N 293.063 2.747 30 50 CFEA C=CC[C@H](CC)NC(=O)NC[C@H]1CCO[C@H]1C(C)C 253426349 FIBSMCAPNNEBKB-RDBSUJKOSA-N 268.401 2.701 30 50 CFEA C=C/C(O)=N/[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 328598519 MLHMIEQGYWYYNY-AWEZNQCLSA-N 276.311 2.762 30 50 CFEA N#C[C@@H]1CSCCN1C(=O)c1ccc(F)c(Cl)c1 271778205 YVLFKCYMGFWYDH-SECBINFHSA-N 284.743 2.560 30 50 CFEA CSc1ncccc1C(=O)N1CCC[C@@](C)(C#N)C1 217610943 HQKSOHBEBFSRFL-AWEZNQCLSA-N 275.377 2.569 30 50 CFEA Sc1nnc(-c2ccncc2)n1/N=C/c1cccs1 383331 RZDVYKGUSPYFTP-RIYZIHGNSA-N 287.373 2.573 30 50 CFEA N#Cc1cc(N2C[C@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] 123697208 ZXURDJSEQCBKJV-GHMZBOCLSA-N 257.293 2.703 30 50 CFEA N#Cc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1 16489996 KBKNRGVVWLBZSQ-UHFFFAOYSA-N 289.294 2.861 30 50 CFEA CC(=O)C1=C(C)Nc2ncnn2[C@@H]1/C=C/c1ccccc1 147775 WFMYIFRREPMSEA-MYSGNRETSA-N 280.331 2.821 30 50 CFEA CCn1c2ccccc2c2cc(/C=N/NC(N)=S)ccc21 282456 GTQXMOOHTNHNQW-VCHYOVAHSA-N 296.399 2.982 30 50 CFEA N#Cc1ccc(N2C[C@H]3[C@H](O)CC[C@H]3C2)cc1C(F)(F)F 228033891 ZBYCDYNTYHJYNS-ZKYQVNSYSA-N 296.292 2.784 30 50 CFEA COc1ccccc1NC(=S)N/N=C1/C[C@@H]2C=CC[C@@H]12 137856015 RLYWNVFIGLKBCR-KSPRJTAWSA-N 287.388 2.934 30 50 CFEA C=CCC[C@@H](CN1CCCC1)Oc1ccc(C)nn1 67741517 AMEZLOUIJZONAB-AWEZNQCLSA-N 261.369 2.594 30 50 CFEA N#Cc1c(Cl)nsc1NC(=O)c1ccccc1 4109944 TXHCVDNWWWKMRH-UHFFFAOYSA-N 263.709 2.920 30 50 CFEA N#CC1CCN(C(=O)c2ccc(-c3ncccn3)cc2)CC1 426471320 HDAQZDOSAJPGLG-UHFFFAOYSA-N 292.342 2.519 30 50 CFEA CC1(C)CN(c2cnc(C#N)cn2)Cc2ccccc21 274694781 NJEOZSKKXLZBRY-UHFFFAOYSA-N 264.332 2.646 30 50 CFEA C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1)nnn2C 648533434 DRLRNMNCQGBPRJ-JTQLQIEISA-N 258.325 2.509 30 50 CFEA Cc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 169986443 MDQXWEUUJCYVMT-UHFFFAOYSA-N 252.550 2.948 30 50 CFEA Cc1ccccc1C1([N+](=O)[O-])C(=O)c2ccccc2C1=O 3123112 ALKPGLOPPCSHBF-UHFFFAOYSA-N 281.267 2.546 30 50 CFEA CC1(C)OB(c2cccc3nc(S)sc23)OC1(C)C 170005667 GSVLUXAHPQNGLQ-UHFFFAOYSA-N 293.222 2.884 30 50 CFEA Cc1noc(C)c1[C@@H](C)CNc1cc(C#N)ccn1 283771062 OSBLBJMUDFTMRX-VIFPVBQESA-N 256.309 2.774 30 50 CFEA COc1c(C)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 306391370 DUDVRFXJSYNZMR-UHFFFAOYSA-N 282.576 2.956 30 50 CFEA N#C[C@@H](C(=O)c1ccc(-n2ccnc2)cc1)c1ccccn1 193252583 VCRUHAJXFFLWSM-OAHLLOKOSA-N 288.310 2.757 30 50 CFEA N#CC1(c2nc(-c3ccnc(O)c3)no2)CCCCC1 585120294 FDOWQEGFFCANMD-UHFFFAOYSA-N 270.292 2.563 30 50 CFEA Cc1cccc(-c2nnc(S)n2/N=C/c2cccn2C)c1 6055725 IXESHALOQCNNRU-MHWRWJLKSA-N 297.387 2.763 30 50 CFEA Cc1ccc(N2CCN(/N=C\c3cccnc3)CC2)cc1 5009161 ZRUKDUWJEAIJOP-RGEXLXHISA-N 280.375 2.546 30 50 CFEA N#CCOc1ccc2oc(-c3ccco3)cc(=O)c2c1 1978194 XZGKERUCBDYNKB-UHFFFAOYSA-N 267.240 2.955 30 50 CFEA CC(C)C[N@@]1C[C@H]1COc1cnc2ccc(C#N)cc2c1 1875379927 ZRRJCVOYRWNLDB-YWZLYKJASA-N 281.359 2.825 30 50 CFEA N#Cc1ccc2ncc(CN3CCC[C@H]4CCC[C@H]43)n2c1 245560753 NGWDLZDILKQOCC-GDBMZVCRSA-N 280.375 2.970 30 50 CFEA O/N=C1/C[C@@](O)(C(F)(F)F)Oc2ccc(Cl)cc21 100450738 XCZYMAYEBAWIIK-KLLFSAEGSA-N 281.617 2.552 30 50 CFEA C[C@]12C3=CC(=O)C=C1C=C(O)C1=CC(=O)C=C(C=C3)[C@@]12C 100818777 IKCBSIYEWLIYOE-ROUUACIJSA-N 278.307 2.895 30 50 CFEA CO[C@@H]1CCC[C@H](/C(O)=N/[C@H]2c3ccccc3C[C@H]2O)C1 328919457 LKCCWFGALVPUPN-XNISGKROSA-N 289.375 2.806 30 50 CFEA N#CCC1(CS(=O)(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1 253429177 MIAJIHZHJKRJGM-UONOGXRCSA-N 296.436 2.568 30 50 CFEA N#Cc1nc(N2CC[C@H](c3ccncc3)C2)ccc1Cl 599101207 MWJDIUFYDFMECM-LBPRGKRZSA-N 284.750 2.996 30 50 CFEA N#Cc1cc2c(N)c(C(=O)c3ccccc3)sc2nc1N 19594892 CNUZUOSGZYOVGA-UHFFFAOYSA-N 294.339 2.563 30 50 CFEA C=CC[C@H]1CCC[C@@H]1NC(=O)c1coc(/C=C/C(=O)O)c1 1875270593 AVWJHZITLRIWOA-XNHDODSBSA-N 289.331 2.852 30 50 CFEA CSC1=N/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)S1 4755248 SSXQYYPTBCQAKQ-XQRVVYSFSA-N 270.291 2.521 30 50 CFEA CC(C)c1nccn1CCCNc1cc(C#N)ccn1 952984053 ZJYVEQJFKDEUGM-UHFFFAOYSA-N 269.352 2.775 30 50 CFEA CCc1ccccc1OC1CN(c2cc(C#N)ccn2)C1 1529180590 LKGXRAQZWKZRML-UHFFFAOYSA-N 279.343 2.783 30 50 CFEA Cc1scnc1[C@@H](C)NC(=O)c1ccc(C#N)cc1F 1857694612 GDBJWJOVBZWUIJ-MRVPVSSYSA-N 289.335 2.953 30 50 CFEA Cc1sc2nc(SCC#N)nc(O)c2c1C 2073252 CBOMLQKHJUVSMA-UHFFFAOYSA-N 251.336 2.629 30 50 CFEA C=CCOc1ccccc1OCCN1C[C@@H](C)O[C@H](C)C1 20653012 DAEXNWCCHFXITC-HUUCEWRRSA-N 291.391 2.739 30 50 CFEA Cc1c(N)ccc(B2OC(C)(C)C(C)(C)O2)c1Cl 170003100 PEMJDAXAYSAKTH-UHFFFAOYSA-N 267.565 2.530 30 50 CFEA Cc1nnsc1C/N=C(/O)N1C[C@@H](C)c2ccccc21 330205953 CUHRVZFTYYTYDL-SECBINFHSA-N 288.376 2.884 30 50 CFEA C=C/C(O)=N/[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 328599189 QLAMIOUZJIFBDF-UKRRQHHQSA-N 294.782 2.854 30 50 CFEA N#Cc1cc(Br)ccc1NCC1(N)CCC1 236184370 KHYPYGLUUBLOFA-UHFFFAOYSA-N 280.169 2.614 30 50 CFEA C=C(CO[C@H]1CCCCO1)CO[C@@H]1CCCCO1 45071937 VGPBPFWGWVBRPL-OKILXGFUSA-N 256.342 2.629 30 50 CFEA N#Cc1cc(F)c(-c2nnc([C@@H]3CCCOC3)o2)c(F)c1 886084584 MLRPUFGOSCLIRG-SECBINFHSA-N 291.257 2.780 30 50 CFEA CCC[C@H](C#N)NC(=O)c1cccnc1C(F)(F)F 170608857 YGHMTBHFOPGILA-MRVPVSSYSA-N 271.242 2.522 30 50 CFEA Cc1c(C#N)c(N2C[C@H](C)CO2)nc2ccccc12 1857680232 FEDQJQGLNMHBGK-JTQLQIEISA-N 253.305 2.803 30 50 CFEA CN1C(=O)CS/C1=N\C12CC3CC(CC(C3)C1)C2 17889065 LTAZELVXQRKVBB-SQFISAMPSA-N 264.394 2.516 30 50 CFEA CCOc1cc(F)c(F)c(B2OC(C)(C)C(C)(C)O2)c1 169951823 BFPQMUVGFZBCAK-UHFFFAOYSA-N 284.111 2.663 30 50 CFEA C=CCn1c(S)nnc1[C@H](C)Oc1ccc(OC)cc1 2526655 IVMYIAUJRKKCNH-JTQLQIEISA-N 291.376 2.901 30 50 CFEA in-vitro C[C@H](C1CC1)n1cc(N=C(O)N2CCCSCC2)cn1 328595813 FHRSHDKRNVHEGB-LLVKDONJSA-N 294.424 2.839 30 50 CFEA CC[C@H](C)n1ncc(N/C(O)=N/C2CCOCC2)c1C 331161623 XALUMOURVBPSFB-JTQLQIEISA-N 280.372 2.667 30 50 CFEA CC#CC(=O)N(C)[C@H](Cc1ccccn1)C(C)(C)C 1875363197 BMOXQOHSWHJLAA-CQSZACIVSA-N 258.365 2.521 30 50 CFEA CC[C@H](CC#N)NC(=O)CCN1CCCc2ccccc21 1775997319 ARIONAGUZQEYIX-OAHLLOKOSA-N 285.391 2.638 30 50 CFEA CN1CC[C@@H]2[C@@H](CCCN2c2cccc(F)c2C#N)C1 269073291 ATNSTALBRQOFND-SWLSCSKDSA-N 273.355 2.618 30 50 CFEA C=CC[n+]1c(SCC(=O)O)sc2ccccc21 404928 MXIZCMWCQJYAGI-UHFFFAOYSA-O 266.367 2.552 30 50 CFEA C=CCOc1ccc(OCCN2C[C@H](C)O[C@@H](C)C2)cc1 20639802 IMQQVRLNIVVRFU-GJZGRUSLSA-N 291.391 2.739 30 50 CFEA N#CC1(c2ccccc2)CCN(C[C@H]2CCOC2)CC1 244691963 JLXPLCWGUKODMH-OAHLLOKOSA-N 270.376 2.580 30 50 CFEA CC[C@@H](CC#N)NC(=O)c1cc(Br)cs1 183936231 MKDOOCOCFZIZKE-QMMMGPOBSA-N 287.182 2.933 30 50 CFEA N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CCC[C@@H]1O 1616035150 SLTMBVPSWLCXHM-PVAVHDDUSA-N 270.376 2.686 30 50 CFEA C#CCCC1(CCC(=O)N2CCc3ncc(C)cc32)N=N1 952879194 BGGVEARQDIOOOH-UHFFFAOYSA-N 282.347 2.635 30 50 CFEA N#Cc1ccccc1-n1cc(-c2cccnc2Cl)nn1 2325818265 XWMKTCWSVOPLPT-UHFFFAOYSA-N 281.706 2.854 30 50 CFEA CC(=O)C1=C(NC(=O)c2ccccc2)C[C@H]2[C@@H]1C2(C)C 517531 YQMYUMRTQGFQSG-WFASDCNBSA-N 269.344 2.935 30 50 CFEA biogenic C=CCSc1nc2ccccc2c2nc(C)nn12 9575251 IQAGTOITNKPMPP-UHFFFAOYSA-N 256.334 2.864 30 50 CFEA CC(C)(C)OC(=O)NCCB1OC(C)(C)C(C)(C)O1 170006493 KXXYKDWLOOTXGS-UHFFFAOYSA-N 271.166 2.603 30 50 CFEA CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1 941 YBBLVLTVTVSKRW-UHFFFAOYSA-N 293.374 2.929 30 50 CFEA biogenic,fda Cc1ncc(C/N=C(/O)c2cc3ccccc3s2)c(=N)[nH]1 328591984 KFNJBDJMBAXXAA-UHFFFAOYSA-N 298.371 2.917 30 50 CFEA N#Cc1cccnc1N1CCC[C@](O)(c2ccccc2)CC1 365978196 LCUMTRIXWYMLTE-GOSISDBHSA-N 293.370 2.831 30 50 CFEA C/N=C(/NCCc1c[nH]c2cc(F)ccc12)NC1CCC1 262820815 YGHRJMZMIAIPBY-UHFFFAOYSA-N 288.370 2.567 30 50 CFEA Cc1ccc2nc(-c3ccc(/C(N)=N/O)cc3)[nH]c2c1 72284290 AFQXAUSVHHHSMN-UHFFFAOYSA-N 266.304 2.633 30 50 CFEA C#CCCC1(CCC(=O)N2CCC(C(F)F)CC2)N=N1 952881292 MCZNIGHKCYXYQW-UHFFFAOYSA-N 283.322 2.846 30 50 CFEA C=CCN(C(=O)C1CCN(C(=O)C=C)CC1)c1ccccc1 1875366064 GCZJBZAZXKKABF-UHFFFAOYSA-N 298.386 2.630 30 50 CFEA N#Cc1c(NC(=O)C(F)(F)F)sc2c1CCC2 60922 QWZHTJXNBFZNCN-UHFFFAOYSA-N 260.240 2.609 30 50 CFEA C=CC[C@H](CC)NC(=O)NC[C@@H]1CCO[C@H]1C(C)C 253426339 FIBSMCAPNNEBKB-IHRRRGAJSA-N 268.401 2.701 30 50 CFEA Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)C[C@H]2C=CCC2)cn1 328625010 KGARTSYEUVZAKG-DUVNUKRYSA-N 289.379 2.953 30 50 CFEA CCN(CC)CCCN/N=C(\C)Cc1ccccc1 71771317 IMSWTJIAHNWJCU-OBGWFSINSA-N 261.413 2.927 30 50 CFEA Cc1cscc1N=C(O)N1CCC[C@@H]1CCCO 331224229 BCKMNECMGBXKFH-LLVKDONJSA-N 268.382 2.839 30 50 CFEA CCc1ncnc(NCC2CCC(C#N)CC2)c1F 253425735 DTSWGUFDASXUJM-UHFFFAOYSA-N 262.332 2.920 30 50 CFEA Cc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc(O)n1 120354745 JHOUPOQHOSLKBV-UHFFFAOYSA-N 287.706 2.873 30 50 CFEA CC#CC(=O)NC[C@H](Oc1ccccc1)c1ccccc1 1875363248 NABRPPGFGKQWMV-KRWDZBQOSA-N 279.339 2.946 30 50 CFEA CC#CC(=O)N(C)[C@@H](COC)c1cccc(C(F)(F)F)c1 1875363137 SAKVSQDYJKEAIA-ZDUSSCGKSA-N 299.292 2.875 30 50 CFEA C=CC[C@@]1(CO)CCCN(Cc2ccccc2C#N)C1 91695416 JUKVIOWAHYQEMR-QGZVFWFLSA-N 270.376 2.709 30 50 CFEA C=CCn1c(SCC#N)nc2sc(CC)cc2c1=O 2276591 CTEQCDVQLGSRLC-UHFFFAOYSA-N 291.401 2.822 30 50 CFEA N/C(=N\OC(=O)c1ccccc1F)c1ccc(Cl)cc1 4191401 WPXKIPIKKGIUKX-UHFFFAOYSA-N 292.697 2.956 30 50 CFEA C=CCNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 52410810 XEEIWUVXRFTZBA-JTQLQIEISA-N 253.729 2.718 30 50 CFEA CC(O)=Nc1ccn([C@H]2CCN([C@@H](C)c3ccccn3)C2)n1 328617208 CLVVUEUENNUNJG-JSGCOSHPSA-N 299.378 2.894 30 50 CFEA O/C(=N/Cc1ccc(C2CC2)cc1)NC[C@@H]1CCC[C@@H]1O 330049538 KXOBRUHKOVDSJD-HOTGVXAUSA-N 288.391 2.729 30 50 CFEA CO[C@@H]1[C@H]2C[C@@H]3CN(c4snc(Cl)c4C#N)[C@H]1[C@H]3C2 242038568 VMFIUTPDQTVPFO-IHFUKEFASA-N 295.795 2.528 30 50 CFEA CC[C@H](CC#N)NC(=O)c1ccccc1OC1CC1 287701616 FYNSPMQULDSTQF-LLVKDONJSA-N 258.321 2.650 30 50 CFEA CC[C@@H]1CCC/C1=N\NS(=O)(=O)c1ccc(C)cc1 43763526 CDAZBUKYEREVCH-XROPSADXSA-N 280.393 2.839 30 50 CFEA Sc1nnc(-c2ccccc2)n1N=Cc1ccccn1 239184819 RAQVRZAQWSXSBP-UHFFFAOYSA-N 281.344 2.511 30 50 CFEA Cc1nc(N2[C@H]3CC[C@H]2c2c[nH]nc2C3)c(Cl)cc1C#N 585132744 ROYYXOSUAMCWKA-HZMBPMFUSA-N 299.765 2.904 30 50 CFEA C=C[C@@H]1CCN(C(=O)CC2CC(C)(C)NC(C)(C)C2)C1 952960909 IFNCEPJZTLXYFN-CYBMUJFWSA-N 278.440 2.968 30 50 CFEA C[C@H]1SCCn2c(-c3cccc(C#N)c3)nnc21 1857707468 UIIZYRPUAMRKSC-SECBINFHSA-N 256.334 2.625 30 50 CFEA C=CCN(C)C(=O)NCc1ccc(OCC)c(F)c1 154517886 ZZVRBSYVXHREJA-UHFFFAOYSA-N 266.316 2.552 30 50 CFEA O=C1C=Cc2ccccc2/C1=N/Nc1ccc2c(c1)OCO2 12625360 YDDCNLYXHUUQTE-ZPHPHTNESA-N 292.294 2.827 30 50 CFEA CS(=O)(=O)c1ccc(-c2ccccc2C#N)cc1 16947684 KSPDVCYGMNBRKB-UHFFFAOYSA-N 257.314 2.629 30 50 CFEA C[C@@H](NC(=O)[C@@H]1CO1)c1ccc(Cl)cc1Cl 1875372969 QQIFHVVTCUZXAW-LDWIPMOCSA-N 260.120 2.569 30 50 CFEA O=C1/C(=C/NCc2ccccc2)Nc2ccccc21 100427565 PGIBPBJBVVNZPD-PTNGSMBKSA-N 250.301 2.926 30 50 CFEA COc1ccc(/C=N/[S@@](=O)C(C)(C)C)cc1OC 137498830 MICGUYCQMKQBFY-MOVXZBDNSA-N 269.366 2.585 30 50 CFEA CC(C)(C)OC(=O)[C@H](C#N)c1cccc(Cl)n1 97454980 XMYHFDDVUXQKKW-MRVPVSSYSA-N 252.701 2.684 30 50 CFEA COCCOc1ccc(-c2ccnc(OC)c2C#N)cc1 96165650 KFBYORBAWQJJPT-UHFFFAOYSA-N 284.315 2.654 30 50 CFEA N#Cc1cc(C(F)F)c(C(=O)O)cc1Br 263622999 CUBZNVBYHIQMIB-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA C=CCC[C@@H]1CCCN1C(=O)/C=C/c1cc(C(=O)O)co1 1344550596 IHYCNHOAEXRKMF-SBDDDAINSA-N 289.331 2.948 30 50 CFEA CCC1(NC(O)=Nc2cn(C)nc2C(C)C)CCOCC1 331253419 VIELFUHATGVDTM-UHFFFAOYSA-N 294.399 2.638 30 50 CFEA CCCOC(=O)CSc1nc(C)cc(C)c1C#N 2493382 GNWBDFRHNXXLDO-UHFFFAOYSA-N 264.350 2.615 30 50 CFEA N/C(=N\OC(=O)CCC1CCCCC1)c1ccccn1 4560179 OIHOLXMFCJPOMR-UHFFFAOYSA-N 275.352 2.606 30 50 CFEA COC(=O)c1cc2oc3ccccc3c2n1C[C@@H]1CO1 6640418 HXNXDLNRYHZDFR-SECBINFHSA-N 271.272 2.573 30 50 CFEA C=CCN1C(=O)O[C@](C)(CCC=C(C)C)[C@]1(C)O 4087702 UOKVKKBVZREBLQ-KGLIPLIRSA-N 253.342 2.838 30 50 CFEA Cc1nc(C(C)C)oc1/C(O)=N/[C@@H]1CCO[C@@H]1C1CC1 328960800 QMQAXJRSUOTVOP-DGCLKSJQSA-N 278.352 2.979 30 50 CFEA C=CCc1ccc(C(=O)N[C@H]2CCN(CCC)C2)cc1 218551649 KIIAUJWALROYOP-INIZCTEOSA-N 272.392 2.629 30 50 CFEA CCN(CC)CCCOc1ccc(/C=N/O)cc1 96027409 ISIUOEMESFTSTE-NTCAYCPXSA-N 250.342 2.605 30 50 CFEA Cc1cc(NC(=O)c2ccc(C#N)nc2)n([C@H](C)C2CC2)n1 1506423320 VEFPJBIQINFCRW-LLVKDONJSA-N 295.346 2.682 30 50 CFEA COc1cc(/C=C/C(=O)C2CC2)cc(OC)c1OC 348720 FWDIPKYLGKPPGZ-QPJJXVBHSA-N 262.305 2.705 30 50 CFEA Cc1ccc(/C(N)=N/OC(=O)COc2cccc(C)c2)cc1 4318689 ZAJDBZRKQCOFEG-UHFFFAOYSA-N 298.342 2.546 30 50 CFEA N#Cc1ccccc1NC(=S)NC(=O)Cc1ccccc1 359647 IBIRMLLHRNFUCA-UHFFFAOYSA-N 295.367 2.614 30 50 CFEA Cc1cc(Cl)c(N)c(B2OC(C)(C)C(C)(C)O2)c1 170003534 YDKMGNQLTMYBJH-UHFFFAOYSA-N 267.565 2.530 30 50 CFEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1sccc1C 281881802 TZACXGYNRKHKKS-JSGCOSHPSA-N 294.420 2.837 30 50 CFEA Cc1nn(-c2c(Cl)cccc2Cl)c(N)c1C#N 38537110 BGYUEANPJMLQQV-UHFFFAOYSA-N 267.119 2.941 30 50 CFEA in-vitro CN(C)c1ccc(C(=O)N(CCC#N)CC(C)(C)C)nc1 170595628 XTSKJQCOWZZLBI-UHFFFAOYSA-N 288.395 2.550 30 50 CFEA CCOC(=O)CCCCn1cc(C#N)c2ccccc2c1=O 585118285 JAMYLFUGLABQPI-UHFFFAOYSA-N 298.342 2.607 30 50 CFEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)C(=O)c1ccco1 212290695 FNOPQZZBLLSUTM-RYUDHWBXSA-N 259.305 2.584 30 50 CFEA N/C(=N\OC(=O)Cc1ccc(Cl)cc1)c1ccccc1 5044144 QFNFIUVXYDEKSQ-UHFFFAOYSA-N 288.734 2.746 30 50 CFEA CC1(C)OB(c2ccc3cc(C=O)ccc3c2)OC1(C)C 170007319 QIVASFACMOHKLY-UHFFFAOYSA-N 282.148 2.952 30 50 CFEA C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCS[C@@H]2CCCC[C@@H]21 328588998 ZQHGCEPANFAJOQ-LXTVHRRPSA-N 295.448 2.854 30 50 CFEA Cc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)CCC2 4143831 JXBPEWAUFRWNFW-LBPRGKRZSA-N 255.317 2.606 30 50 CFEA C[C@@H]1C=CC=C[C@H]2[C@H](C=C1)C(C#N)(C#N)C2(C#N)C#N 254430480 VROSBNGGMQNCCD-RDBSUJKOSA-N 260.300 2.618 30 50 CFEA N#CC1CCN(C[C@H]2CCCN2Cc2ccccc2)CC1 252482142 CZOSXQDJYLEXFD-GOSISDBHSA-N 283.419 2.887 30 50 CFEA N#CCC[C@@H](C#N)CN1CC[C@@H](c2ccccc2)[C@@H](CO)C1 367139440 XPIJLPSPEGQYDB-JQHSSLGASA-N 297.402 2.528 30 50 CFEA Cc1cc(N2CC[C@@H](c3cnccc3C)C2)c(C#N)cn1 585140163 KBWSGGSBZYNUEK-CQSZACIVSA-N 278.359 2.959 30 50 CFEA C#CCCCN1CCN(c2cccc(Cl)c2)CC1 169043846 GMNMAUPHDMGRQZ-UHFFFAOYSA-N 262.784 2.875 30 50 CFEA C#CCCC1(CCC(=O)N2CCCC[C@@H](COC)C2)N=N1 952883740 XFWBKHJBYWHLLS-CQSZACIVSA-N 291.395 2.617 30 50 CFEA COC1=C(OC)[C@@]2(C=CC1=O)CC(C)(C)N=C2SC 1428659 WOVWHRHYMSSYPE-CQSZACIVSA-N 281.377 2.560 30 50 CFEA Cc1nnc(C/N=C(/O)c2ccccc2C(C)(C)C)n1C 330699575 HQSRCVIUGVYXBM-UHFFFAOYSA-N 286.379 2.926 30 50 CFEA ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 5297574 WIZFHSAFKKUPRU-UHFFFAOYSA-N 277.287 2.666 30 50 CFEA CCc1nc(C#N)cc(N2CCC[C@H](c3ccncc3)C2)n1 596253672 FPVFOUMVNDMQHI-AWEZNQCLSA-N 293.374 2.690 30 50 CFEA CCCN(CC#N)C(=O)C(C)(C)c1cccc(C#N)c1 195579131 BFYKRBLGXUGILR-UHFFFAOYSA-N 269.348 2.598 30 50 CFEA N#Cc1ccc(OCc2nc(C3CC3)no2)c(F)c1 134314590 FUOHDSNKERFBFF-UHFFFAOYSA-N 259.240 2.537 30 50 CFEA O=S(=O)(N/N=C/C=C/c1ccccc1)c1ccccc1 2902688 MQXWTRJXHQZYJH-NJKRNUQASA-N 286.356 2.664 30 50 CFEA C[C@H]1CCCCN1c1cc(C#N)c(C#N)cc1[N+](=O)[O-] 4629389 BYPVUTGUUDJEGG-JTQLQIEISA-N 270.292 2.717 30 50 CFEA O=C1C=C(c2ccccc2)[C@](O)(c2ccccc2)C1 83955 UYKCAQGCJCECGZ-QGZVFWFLSA-N 250.297 2.931 30 50 CFEA CCCNC(=O)c1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 442709954 BLRNGNLTLUBATP-CZUORRHYSA-N 285.391 2.608 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1CC(=O)Nc2c(F)cccc21 253432243 XJNQVZXHGOFKQV-JTQLQIEISA-N 276.311 2.713 30 50 CFEA CC1=C[C@]2(S(=O)(=O)c3ccccc3)CCC[C@@H]2CC1=O 71786005 DUYPVYCAWZPZLK-CZUORRHYSA-N 290.384 2.918 30 50 CFEA N#CCn1c(C(=O)c2ccccc2)nc2ccccc21 40546121 XQZPLSJAMXKESZ-UHFFFAOYSA-N 261.284 2.791 30 50 CFEA COc1ccc(C(=O)/C=C/c2cocn2)c(OC)c1 170605433 HKOKKBGXGCCQEZ-ZZXKWVIFSA-N 259.261 2.588 30 50 CFEA CCN(/C(N)=N/c1nc(C)cc(C)n1)c1ccccc1 6078558 NSZXFENYJBRETC-UHFFFAOYSA-N 269.352 2.566 30 50 CFEA N#Cc1ccc(CN2CCCC[C@@H]2c2nc[nH]n2)c(F)c1 121667736 GWNZXMOSMWYZPO-CQSZACIVSA-N 285.326 2.543 30 50 CFEA Cc1cc(/C(O)=N/C[C@H]2CCn3ccnc3C2)c(C)o1 328617258 COFGMYRNEHNTMT-LBPRGKRZSA-N 273.336 2.660 30 50 CFEA CCOC(=O)C[C@@H](B1OC(C)(C)C(C)(C)O1)C(F)(F)F 1772716797 XUXOSHAMJVAULB-MRVPVSSYSA-N 296.094 2.964 30 50 CFEA Cc1ccc(C#N)c(N2CCO[C@H](c3cccs3)C2)n1 161850493 OJWMOPNKVZTQBP-ZDUSSCGKSA-N 285.372 2.901 30 50 CFEA C[C@@]1(C#N)CCCN(Cc2cccc(C(=O)O)c2)C1 670445447 CPIGEUGQDSCKLE-HNNXBMFYSA-N 258.321 2.510 30 50 CFEA N#CC1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 142105756 VOZZGFBTTAFIJH-UHFFFAOYSA-N 286.310 2.611 30 50 CFEA N#CCCN(Cc1ccccc1)C(=O)c1ccncc1 36563457 VVECVAHBDVHUMY-UHFFFAOYSA-N 265.316 2.638 30 50 CFEA CC#CCCCC(=O)N1CCC([C@H]2CCCOC2)CC1 368769772 JGTZGBMLDJQCMT-INIZCTEOSA-N 277.408 2.845 30 50 CFEA CCN1C(=O)CSC1=Nc1ccccc1Cl 244787810 QEBYIBXMOIEAAM-UHFFFAOYSA-N 254.742 2.923 30 50 CFEA CCN1CC[C@@H](Nc2nc(C(C)C)ccc2C#N)C1 823104897 JJFWRRGAGIZLAG-CYBMUJFWSA-N 258.369 2.583 30 50 CFEA N#Cc1ccc2[nH]cc(I)c2c1 91302271 LCQFJLARYCQCQR-UHFFFAOYSA-N 268.057 2.644 30 50 CFEA in-vitro CC#CCCCOC(=O)Cc1ccc(OC)cc1F 170602526 MYNKWFRVTWBJLO-UHFFFAOYSA-N 264.296 2.724 30 50 CFEA CCC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 306153651 AVBAIERNCQYMBA-UHFFFAOYSA-N 260.142 2.579 30 50 CFEA C=C1CSc2nc(=O)c3c4c(sc3n21)CCC4 240061 KPYGOYBFPIORPI-UHFFFAOYSA-N 262.359 2.523 30 50 CFEA C=CCOc1ccc(C(=O)Nc2cccnc2)cc1 3005038 KESJKGOKGIBKBS-UHFFFAOYSA-N 254.289 2.899 30 50 CFEA CC#CC(=O)Nc1cnn(-c2ccc(F)cc2)c1CCC 283417657 CKZIYHCAJZSRFE-UHFFFAOYSA-N 285.322 2.926 30 50 CFEA CCOC(=O)c1cc(Br)c(C#N)cc1F 263623311 GKSXHQQMFQFKLP-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA C=C[C@@H]1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C1 820443848 WLRGKFWYZGDMIG-OAHLLOKOSA-N 269.388 2.817 30 50 CFEA CC1(C)OB(c2ccc([Si](C)(C)C)cc2)OC1(C)C 169909607 OPGOPAKVZDQUMR-UHFFFAOYSA-N 276.261 2.531 30 50 CFEA in-vitro Cc1ccc(C)c(CC(=O)N2CCC[C@@](C)(C#N)C2)c1 221376924 HNBNJCLDGOZPDN-KRWDZBQOSA-N 270.376 2.998 30 50 CFEA N#Cc1cnc(N2CCC(c3ncccn3)CC2)c(Cl)c1 952993471 NOIXXNDKJFCRDA-UHFFFAOYSA-N 299.765 2.781 30 50 CFEA CC[C@]1(O)CCN(c2ccc(C#N)c(Cl)c2)C1 390835601 RYYXRMMXYYXGMP-ZDUSSCGKSA-N 250.729 2.563 30 50 CFEA CC1(C)C(=O)O[C@@H](C#Cc2ccccc2)C(C)(C)C1=O 310380 PFPOMUKRYABAGO-ZDUSSCGKSA-N 270.328 2.585 30 50 CFEA biogenic N#C[C@@H](C(=O)NCc1ccccc1)c1ccccc1 555224 KGDCFWIWCUAHQW-OAHLLOKOSA-N 250.301 2.610 30 50 CFEA N#CCc1ccc(NC(=O)COc2ccc(F)cc2)cc1 8126469 YRBVZCHICBTQEH-UHFFFAOYSA-N 284.290 2.909 30 50 CFEA C=C(C)CN(CC)C(=O)c1ccc(C#CC(C)(C)O)cc1 65492776 HSPSZWMBLZXJBM-UHFFFAOYSA-N 285.387 2.847 30 50 CFEA Cc1noc(C2CC2)c1N=C(O)CCc1ccnn1C 330040704 CPTVEEPYJHCOFJ-UHFFFAOYSA-N 274.324 2.815 30 50 CFEA Cc1n[nH]c(C)c1-c1cc(C2(C)CC2)nc(N)c1C#N 71759532 XSEQQLXASXTUBL-UHFFFAOYSA-N 267.336 2.594 30 50 CFEA O=C(O)CCCc1cc2c(s1)CCC/C2=N\O 192538 DXPDNODWSMXOJS-JLHYYAGUSA-N 253.323 2.670 30 50 CFEA O=C1C(Cl)=C(Cl)C(=O)c2c1cccc2[N+](=O)[O-] 245864 AWCITCQRUBWCJA-UHFFFAOYSA-N 272.043 2.663 30 50 CFEA in-vitro CCSc1cccnc1C(=O)N1CCC(C)(C#N)CC1 336201772 LPUZZXQSQVJBSO-UHFFFAOYSA-N 289.404 2.959 30 50 CFEA N#CCC[C@H](C#N)CN1CCO[C@@H](c2ccsc2)C1 229945753 CGRHZTGJGGAQKS-TZMCWYRMSA-N 275.377 2.565 30 50 CFEA N#Cc1ccc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)nc1 275509161 DCQKHDMRSRFLGS-HNNXBMFYSA-N 293.374 2.897 30 50 CFEA C[C@@](O)(CNc1ccc(C#N)cn1)c1cccc(Cl)c1 302176482 OLKGOLGQRZESEL-OAHLLOKOSA-N 287.750 2.926 30 50 CFEA Cc1cc(C)n(/N=C/c2ccc(Cl)cc2)c(=O)c1C#N 116524 FRGHETWNXAGILM-GIJQJNRQSA-N 285.734 2.872 30 50 CFEA Cc1ccc(/C=C2\NC(=O)c3ccccc3C2=O)cc1 16662518 NVMLYOQRTQMJIN-GDNBJRDFSA-N 263.296 2.962 30 50 CFEA Cc1ccccc1O[C@H](C)C(=O)O/N=C(\N)c1ccccc1 4833680 CLWBSIVUGMOESR-CYBMUJFWSA-N 298.342 2.626 30 50 CFEA CC1(C)CN[C@@H]1C1CCN(Cc2ccc(C#N)cc2)CC1 952876951 IXEFLESMQRIFFZ-QGZVFWFLSA-N 283.419 2.768 30 50 CFEA C=CCNC(=O)COc1ccc(Cl)cc1Cl 1908622 FPPJMGNUIUSZEY-UHFFFAOYSA-N 260.120 2.674 30 50 CFEA Cc1nnc(/N=C(\O)[C@@H](C)N2CCC(C)CC2)s1 20706575 ZGPVJQNUEMSABF-SECBINFHSA-N 268.386 2.555 30 50 CFEA CO[C@@]1(C)CCCN(C(O)=Nc2c(C)noc2C2CC2)C1 329954258 NRNJSERAJFKEFR-HNNXBMFYSA-N 293.367 2.907 30 50 CFEA CC[C@@H]1c2ccccc2CCN1c1cnc(C#N)cn1 124711401 SZIIBRMLUVFIGM-OAHLLOKOSA-N 264.332 2.862 30 50 CFEA CC[C@H](CC#N)NC(=O)Nc1cc(F)cc(OC)c1 157692560 XZJAIGULHJQEIS-SNVBAGLBSA-N 265.288 2.648 30 50 CFEA CC1=C(C)[C@@]2(C)[C@@H]3C(=O)C=CC(=O)[C@H]3[C@@]1(C)C(=O)C2(C)C 229858916 RQFQLKCULHEKLG-KNCCTNLNSA-N 286.371 2.898 30 50 CFEA CC(Cl)=NOC(=O)Nc1cccc([N+](=O)[O-])c1 239119521 ISSRUSWLLZPUDB-UHFFFAOYSA-N 257.633 2.716 30 50 CFEA CC(C)c1ccc(C#N)c(NCC2(CO)CCC2)n1 828685860 HFZPZHCTTVFPFF-UHFFFAOYSA-N 259.353 2.651 30 50 CFEA C=C(C)Cn1c(SCC(=O)O)nnc1-c1ccccc1 178625 BLIXVEGJBBELRE-UHFFFAOYSA-N 289.360 2.698 30 50 CFEA COc1ccc(OCC#CCNC2CCCCC2)cc1 2839409 ZHJIAIPBVKOJHD-UHFFFAOYSA-N 273.376 3.000 30 50 CFEA COc1ccc(Br)cc1C(=O)CC#N 20156205 PARSPDBRWJTYLA-UHFFFAOYSA-N 254.083 2.554 30 50 CFEA CC(C)c1ccoc1/C(O)=N/C[C@H]1CCCCN1CCO 331329099 NXVWYSISXUMPAI-CYBMUJFWSA-N 294.395 2.554 30 50 CFEA C=C(C)CN(CC)CC(=O)Nc1cc(C)ccc1F 244899777 ZPYYWXQOZBURAA-UHFFFAOYSA-N 264.344 2.971 30 50 CFEA Cc1ccc(S(=O)(=O)N=Cc2ccccc2)cc1 1857524464 HVCKVBQOKOFBFH-UHFFFAOYSA-N 259.330 2.803 30 50 CFEA Cc1c(CNCc2cc(CC(C)C)no2)cc(C#N)n1C 952864532 ZWUODEQANGFHRM-UHFFFAOYSA-N 286.379 2.682 30 50 CFEA CC1(C)OB(c2ccc(Cl)c([N+](=O)[O-])c2)OC1(C)C 169746621 VEIRGLFECZUCTI-UHFFFAOYSA-N 283.520 2.547 30 50 CFEA in-vitro CCC[C@H](C)c1nnc(/N=C(\O)C(=O)OCC)s1 2865460 PJHIHYPRJIRBOJ-ZETCQYMHSA-N 271.342 2.593 30 50 CFEA CC(O)=Nc1ccn([C@H]2CCN(Cc3cccs3)C2)n1 328640548 XLDPKIFKSJLZLE-LBPRGKRZSA-N 290.392 3.000 30 50 CFEA N#Cc1ccccc1-c1ccc(C(=O)N2CCOCC2)cc1 1250579868 AFWUTHAZGZCOKW-UHFFFAOYSA-N 292.338 2.698 30 50 CFEA N#Cc1ccc(CC(=O)NC2CC(C3CCCCC3)C2)cn1 888100438 NWPSTIATPOMDBV-UHFFFAOYSA-N 297.402 2.971 30 50 CFEA Cc1c(/N=C/c2ccncc2)c(=O)n(-c2ccccc2)n1C 100039035 PYLDAHQOEFHNBK-XDHOZWIPSA-N 292.342 2.630 30 50 CFEA C=CCNC(=O)c1ccccc1C(=O)c1ccccc1 3155905 ADTHLRCJPZSEHJ-UHFFFAOYSA-N 265.312 2.833 30 50 CFEA Cn1cccc1[C@](C#N)(CC#N)c1cccc(F)c1C#N 1401233 RNHMWIDAMOXVLH-INIZCTEOSA-N 278.290 2.759 30 50 CFEA O/C(Cn1nnc(C2CC2)n1)=N/[C@H]1CCCc2ccccc21 329015984 KCAHBDSGOOYJLP-AWEZNQCLSA-N 297.362 2.585 30 50 CFEA N#Cc1cccc(C#N)c1N1CC[C@H](O)c2ccccc2C1 365553309 XHOPWTCCSHDVLP-KRWDZBQOSA-N 289.338 2.874 30 50 CFEA C=C[C@@H](C)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 167458412 RDWFZORAHQFFHB-CHWSQXEVSA-N 268.401 2.940 30 50 CFEA N#Cc1ccc(CNc2ccccc2N2CCC(O)CC2)o1 187926813 JKCSCZNRPAKUKA-UHFFFAOYSA-N 297.358 2.724 30 50 CFEA Cn1cc(-c2cc(CSCCCC#N)on2)cn1 191020765 XLVBTVJKKDDYFE-UHFFFAOYSA-N 262.338 2.612 30 50 CFEA CC(C)(C)c1nccc(NCc2ccnc(C#N)c2)n1 1615585239 UHCOTKJUIYCVMB-UHFFFAOYSA-N 267.336 2.653 30 50 CFEA CNc1ccc(Cl)c(/C(O)=N/C[C@H]2CCCO2)c1 330655128 TUKAOFWPDHDFNV-SNVBAGLBSA-N 268.744 2.865 30 50 CFEA C[C@@H]1CCc2c(nc(N)c(C#N)c2-c2cccnc2)C1 1776111117 IIIHTBQFCJHJFH-SNVBAGLBSA-N 264.332 2.722 30 50 CFEA C=CCNC(=O)c1ccc(NCc2cccc(F)c2)nc1 301254350 SQPQNSQWHHORIW-UHFFFAOYSA-N 285.322 2.749 30 50 CFEA CCOC(=O)[C@H]1[C@@H](B2OC(C)(C)C(C)(C)O2)[C@H]1CC 1857779072 LZGOECFGEDSLSK-AXFHLTTASA-N 268.162 2.668 30 50 CFEA N#Cc1ccc(N2CCC(F)(Cc3ccccn3)CC2)nc1 1775992766 VOBQCASTPVUXBD-UHFFFAOYSA-N 296.349 2.899 30 50 CFEA O=C1C[C@H](N2CCCCC2)C=C1Nc1ccc(F)cc1 117622 QJPNEWXRKVNMJE-CQSZACIVSA-N 274.339 2.949 30 50 CFEA C=CCNCc1cc(Br)ccc1OC 4838546 AGODHWCQVUVGDJ-UHFFFAOYSA-N 256.143 2.733 30 50 CFEA Cc1ccccc1[C@H]1C2=C(C[C@@H](C)CC2=O)Nc2ncnn21 10339509 GFOBERPIZPCKNS-HWPZZCPQSA-N 294.358 2.855 30 50 CFEA C=CCSc1nnc(NC(=O)C(C)(C)C)s1 9219174 YUPBAFSPCLDMSS-UHFFFAOYSA-N 257.384 2.801 30 50 CFEA C=CCc1c(C)[nH]c2ccc(C(=O)OCC)cc2c1=O 8733392 QVPKAUUPPPMXIA-UHFFFAOYSA-N 271.316 2.742 30 50 CFEA biogenic CCOC(=O)COc1nc(-c2ccccc2)ccc1C#N 43573935 VBDMDJHFKYDMEQ-UHFFFAOYSA-N 282.299 2.562 30 50 CFEA CC(C)[C@H]1OCCC[C@@H]1CNc1ccc(C#N)nc1 267648651 LTUPEGNBJAUPHR-IUODEOHRSA-N 259.353 2.816 30 50 CFEA CC(=O)O[C@H]1C[C@@H](C)[C@@H]2CC(=O)C(C)=C2C[C@H]1C(C)(C)O 1077996766 WGWWLRBCCJXTGQ-FJCQRKNWSA-N 294.391 2.641 30 50 CFEA biogenic CN1CCCC/C1=N\c1ccn(-c2ccccc2)c(=O)c1 5914213 SLBSXWRZNLMEPT-FBMGVBCBSA-N 281.359 2.983 30 50 CFEA CC(=O)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccccc1 283296 VAXODRRSKWXFFS-HNNXBMFYSA-N 294.310 2.571 30 50 CFEA O=C(C#Cc1ccccc1)N1C(=O)OC[C@H]1c1ccccc1 407976 ANYUSVIHBAUJBE-INIZCTEOSA-N 291.306 2.758 30 50 CFEA C=CCOc1ccccc1CNn1c(C)n[nH]c1=S 4475585 ORQJREZNZGFASY-UHFFFAOYSA-N 276.365 2.558 30 50 CFEA N/C(=N\OC(=O)CCC1CCCCC1)c1cccnc1 4845514 RSJNDHOLJHYVIZ-UHFFFAOYSA-N 275.352 2.606 30 50 CFEA C=CCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 7997184 ZLNKNUISMHYDJP-QMMMGPOBSA-N 285.369 2.933 30 50 CFEA O=C(/C=C\c1cccnc1)c1cccc([N+](=O)[O-])c1 25665684 IAVPZCFQCMLATC-SREVYHEPSA-N 254.245 2.886 30 50 CFEA O/C(C[C@@H]1CCOC1)=N/Cc1ccc2c(c1)OCCCO2 329803669 ZRTBIWUNHBCDFY-ZDUSSCGKSA-N 291.347 2.731 30 50 CFEA C[C@H](NC(=O)[C@@]12C=CC(=O)[C@H]1[C@H]1C=C[C@H]2C1)c1ccccc1 252428177 SHGFSCRXFLSRDX-UZOXRMHFSA-N 293.366 2.811 30 50 CFEA O=C(C[n+]1csc2ccccc21)NCc1ccccc1 5736823 GWZFLNSRUJYMHM-UHFFFAOYSA-O 283.376 2.505 30 50 CFEA CC1(C)OB(c2ccc3cnccc3c2)OC1(C)C 169748308 LFALMDZWCMSBFO-UHFFFAOYSA-N 255.126 2.534 30 50 CFEA CCOc1ccccc1N/C(N)=N\c1nc(C)cc(C)n1 6223676 TXIGPGZVKCDYGZ-UHFFFAOYSA-N 285.351 2.550 30 50 CFEA C#CCCC1(CCC(=O)N2CC[C@H](c3ccncc3)C2)N=N1 952880029 ISZKVOHSIUKLCE-HNNXBMFYSA-N 296.374 2.753 30 50 CFEA C#CCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C 952849300 NPOJLKYRVKPFGX-HNNXBMFYSA-N 270.376 2.730 30 50 CFEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccccc1 100494051 XZQDWVORGQYWMV-GFCCVEGCSA-N 269.344 2.933 30 50 CFEA N#Cc1cnc(NOCc2ccc(Cl)cc2)nc1 1396391 ZJEMYRBJGGZTOK-UHFFFAOYSA-N 260.684 2.545 30 50 CFEA C=C[C@H](COCOC)COCc1ccc(OC)cc1 43763463 OIKTWIRUFQUSOW-ZDUSSCGKSA-N 266.337 2.635 30 50 CFEA C=C(C)C[C@@H](C)C(=O)NCCc1cn2c(C)cccc2n1 585089686 FUTCBGIGKOOHII-CYBMUJFWSA-N 285.391 2.904 30 50 CFEA CC#CC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 788289435 VFUAKXPVCZFTOD-CQSZACIVSA-N 294.354 2.861 30 50 CFEA C=COC(=O)C[n+]1c(CCC)sc2ccccc21 5591526 ARSPZJAOBJAGQH-UHFFFAOYSA-N 262.354 2.828 30 50 CFEA Fc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1 2544713 CBDSEJYDEMLGSQ-PJQLUOCWSA-N 290.245 2.607 30 50 CFEA CN(C)c1ccc(/C=N/Nc2cccc(C(=O)O)c2)cc1 3898182 VJJXVBDYMKJSQJ-GZTJUZNOSA-N 283.331 2.897 30 50 CFEA CCCOC(=O)N1CC[C@@H](CB2OC(C)(C)C(C)(C)O2)C1 1875370658 XMQDPOSNVLBBGZ-LBPRGKRZSA-N 297.204 2.947 30 50 CFEA C=CCn1c(C)c(C(C)=O)c(N2CCCC2)nc1=S 441221 MSWGPJKILZCPJX-UHFFFAOYSA-N 277.393 2.910 30 50 CFEA CN(CCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 241644497 PRIAGQZDFWAQPW-CHWSQXEVSA-N 285.174 2.797 30 50 CFEA N#CCC[C@H](C#N)CN1CC(Oc2ccccc2Cl)C1 170595140 NSWXRIPDAPTMNR-GFCCVEGCSA-N 289.766 2.847 30 50 CFEA N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCN2CCCC[C@@H]12 222683270 RQKPNOYYEWOWLT-GJZGRUSLSA-N 286.335 2.505 30 50 CFEA N#Cc1ccccc1CN1CC[C@H](c2nc(C3CC3)no2)C1 583619063 IKRAKLWUJTYCIQ-HNNXBMFYSA-N 294.358 2.808 30 50 CFEA COc1cccc(/C=N/NC(=S)NC2CCCCC2)c1 19912746 QJTFFYIQJYSHKI-LFIBNONCSA-N 291.420 2.826 30 50 CFEA C=CCn1c(-c2ccc(N(C)C)cc2)n[nH]c1=S 2526675 STLICZRBJOVEPW-UHFFFAOYSA-N 260.366 2.860 30 50 CFEA in-vitro N#Cc1c(NCC2(CF)CC3(CCC3)C2)cc[nH]c1=N 2325792687 DVTIYJLKZYYGTF-UHFFFAOYSA-N 274.343 2.698 30 50 CFEA N#Cc1cccc(Cn2cc(-c3ccc(Cl)cn3)nn2)c1 2325820821 HNBFYTWNUCNSPF-UHFFFAOYSA-N 295.733 2.913 30 50 CFEA Cc1cc(C)n(CCCN(C)Cc2ccccc2C#N)n1 65386858 YKYBUYPNIHUUML-UHFFFAOYSA-N 282.391 2.894 30 50 CFEA CC/N=C(/O)C/C(O)=N/C[C@H]1CCO[C@@H]1C(C)(C)C 328610125 GNKCLLVXVKISGB-MFKMUULPSA-N 270.373 2.761 30 50 CFEA Cc1ccc(C(=O)C(=NN)c2ccc(C)cc2)cc1 254707295 VHYVIHRQIHHMFV-UHFFFAOYSA-N 252.317 2.849 30 50 CFEA N#CCC1(O)CN(C(c2ccccc2)c2ccccc2)C1 675050689 HWGVZRQYYMBDGG-UHFFFAOYSA-N 278.355 2.736 30 50 CFEA Cc1nc2ccccc2c(=O)n1/N=C/c1ccccc1F 440079 BZQKDNMFDRKHGZ-VCHYOVAHSA-N 281.290 2.726 30 50 CFEA Cn1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)cn1 334722180 VOQUZEIILWIXOM-INIZCTEOSA-N 294.358 2.659 30 50 CFEA COCC1(CNc2ccc(Cl)cc2C#N)CCNCC1 261876472 ZUPUILXIAXEYBR-UHFFFAOYSA-N 293.798 2.640 30 50 CFEA C[C@@H](Sc1nc(-c2cccnc2)ccc1C#N)C(=O)O 205413 TTYVRSNZLYOFEC-SECBINFHSA-N 285.328 2.580 30 50 CFEA C(=N/N=c1/[nH]c2ccccc2s1)\c1ccccn1 3909651 RJWORGFBUGFUNZ-OQLLNIDSSA-N 254.318 2.559 30 50 CFEA Cc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)cc1 4435795 JEHBJGIKFQURKT-BZNIZROVSA-N 294.358 2.855 30 50 CFEA CCC[C@H](NC(=O)c1cccc(C#N)c1)c1nccn1C 67641486 WKBGSJTVQAZKEU-AWEZNQCLSA-N 282.347 2.563 30 50 CFEA CC(C)n1nccc1[C@H]1OCC[C@@H]1Nc1ccc(C#N)cn1 284477439 GIDAKBRFYKZKEH-BBRMVZONSA-N 297.362 2.673 30 50 CFEA N#CCc1c(C(F)(F)F)ccnc1Br 238576846 BCVVLWNPVNPSTP-UHFFFAOYSA-N 265.032 2.929 30 50 CFEA Cc1cc(C#N)ccc1C(=O)NCCOC1CCCCC1 269601550 HTNGNEVMIXZBKU-UHFFFAOYSA-N 286.375 2.946 30 50 CFEA CC1(C)OB(c2ccc3sncc3c2)OC1(C)C 199309659 BUFCFYWWHGSIIP-UHFFFAOYSA-N 261.155 2.596 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 585127865 LHGWBFZJFHJBGY-GXTWGEPZSA-N 288.395 2.531 30 50 CFEA CCN1C[C@H](c2ccccc2)NC1=NCc1ccc[nH]1 1875280709 ZQQXVUPCFYFXRY-OAHLLOKOSA-N 268.364 2.537 30 50 CFEA Cc1ccc(-c2nnc(S)n2/N=C/c2cccnc2)cc1 9012108 QGWGZNRDIVJXLV-LICLKQGHSA-N 295.371 2.819 30 50 CFEA CCOc1ccc2oc(=O)cc(CN(C)CCC#N)c2c1 20446826 WNNMSNSJYJHHKO-UHFFFAOYSA-N 286.331 2.537 30 50 CFEA Sc1nnc(-c2ccccc2)n1/N=C/c1ccco1 1301868 DRVAQVMLKHKTRJ-NTEUORMPSA-N 270.317 2.709 30 50 CFEA Cc1cccc(C(=O)O/N=C2\C[C@@H](C)N(C)C[C@H]2C)c1 5730696 WSBKLQGARDLANT-BREGNPSQSA-N 274.364 2.868 30 50 CFEA CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@@H](N)Cc3ccccc3)O[C@@H]1C2 169974819 VBPSRSJQIVBEOE-RPUYLAQPSA-N 299.223 2.824 30 50 CFEA CN(Cc1cccc(-c2ccccc2)c1)C(=O)[C@@H]1CO1 1875373397 ZWLCLMFBRIVDAQ-INIZCTEOSA-N 267.328 2.711 30 50 CFEA Cc1[nH]c2ccccc2c1/C=N/n1c(C)nnc1S 382144 SDPRCASRJTUDDK-VGOFMYFVSA-N 271.349 2.547 30 50 CFEA CC#CC(=O)N[C@H](CCc1ccccc1)C(F)(F)F 283739719 GRVRFUJBNDTJLR-GFCCVEGCSA-N 269.266 2.690 30 50 CFEA COCCC[C@@H]1CCCCN1C(=O)c1ccccc1C#N 82125454 QABZBEXOWPTBDH-HNNXBMFYSA-N 286.375 2.980 30 50 CFEA C=CCN(Cc1ccsc1)C(=O)Cc1cc(C)no1 952869805 PJLMTNGPFFIWTA-UHFFFAOYSA-N 276.361 2.802 30 50 CFEA C=C(C)[C@H](NC(=O)/C=C/CN(C)C)c1ccc(F)c(F)c1 274796957 OEIWANVBEXEQKW-JFDDCEBESA-N 294.345 2.816 30 50 CFEA Cc1cn(CCC(C)(C)F)c(=O)n1-c1ccc(C#N)cc1 1875305912 MGJQEPMUROVUFG-UHFFFAOYSA-N 287.338 2.957 30 50 CFEA CC#CC(=O)N(C)C1(CO)CCC(c2ccccc2)CC1 1875378593 HDGWOWGCVBPAMS-UHFFFAOYSA-N 285.387 2.557 30 50 CFEA O/C(=N/[C@@H]1CCc2c[nH]nc2C1)[C@@H]1CCCCS1 329315853 DVKPYSQHUJYXSO-PWSUYJOCSA-N 265.382 2.509 30 50 CFEA CN(C(=O)C1=CC2(CCOCC2)C1)c1ccc(C#N)cc1 1775999138 QLGNLQSVUGLNQV-UHFFFAOYSA-N 282.343 2.648 30 50 CFEA C=C[C@H]1CCCCN1C(=O)c1cnc2onc(C)c2c1 225618717 IBRWFHDOBYGSCR-LBPRGKRZSA-N 271.320 2.712 30 50 CFEA C=CCN(C)C(=O)c1ccc(CN2CCCCC2)cc1 65381818 LIQUTJMYXPMMMW-UHFFFAOYSA-N 272.392 2.931 30 50 CFEA CCN(c1ccc(C(F)(F)F)c(C#N)n1)[C@@H]1CCOC1 253428537 LZWBFIGQTPEDPK-SECBINFHSA-N 285.269 2.587 30 50 CFEA C#Cc1cccc(NC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1 139664608 QHMGCVYVICFOMD-QAQJPARQSA-N 295.382 2.938 30 50 CFEA CCO[C@@H]1C[C@@H](Nc2ccc(C#N)cc2)[C@]12CCCO2 273457940 FWVZINCSHVRPBG-BZUAXINKSA-N 272.348 2.697 30 50 CFEA C=CCN(Cc1nnn(C(C)(C)C)n1)c1ccccc1 668041191 NFPBIBIUOWHZPG-UHFFFAOYSA-N 271.368 2.621 30 50 CFEA CC(C)(C)OC(=O)NCC1(C=O)C[C@H]2CCC[C@@H]2C1 1857780746 KLYCVKWBLLJRCH-VXGBXAGGSA-N 267.369 2.907 30 50 CFEA COC[C@H]1CCCN(C(=O)c2c[nH]c3cccc(C#N)c23)C1 952884431 DURLVFJGOWPTMO-LBPRGKRZSA-N 297.358 2.538 30 50 CFEA Cn1c2c(c3cc(OC[C@H]4CO4)ccc31)CCCC2 1875378521 FGDBALQBUYMBKG-LBPRGKRZSA-N 257.333 2.835 30 50 CFEA Cc1ccc(CNC(=O)N2CCC[C@@H](C#N)C2)cc1F 426651166 ACDSVKYVMWJCMN-ZDUSSCGKSA-N 275.327 2.579 30 50 CFEA C=C1c2ccccc2C(=O)[C@@]23O[C@@]12[C@H]1C=C[C@H]3CC1 101047560 LVWQIFOIVONKDF-IYVPYFHTSA-N 250.297 3.000 30 50 CFEA Cc1cc(C#N)nc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 341724807 CBRVPFBPCJLKJI-JTQLQIEISA-N 283.291 2.738 30 50 CFEA CC1(C)OB(c2cccc3ccc(O)cc23)OC1(C)C 169984562 XZXWMCBTVUZVPB-UHFFFAOYSA-N 270.137 2.845 30 50 CFEA in-vitro Cc1cc(N2CCC(c3c[nH]nc3C)CC2)c(C#N)cn1 575603799 NIYMYXKDJSLQBD-UHFFFAOYSA-N 281.363 2.677 30 50 CFEA O=C(C[n+]1ccc2ccccc2c1)Nc1ccccc1F 5740153 MRVYWMUBTAQHST-UHFFFAOYSA-O 281.310 2.905 30 50 CFEA CC(=O)/C=C\c1ccc(OC(=O)c2cccnc2)cc1 12379250 FEHZDCYLIHLYNG-PLNGDYQASA-N 267.284 2.903 30 50 CFEA CC1(C)OB(c2c(F)ccc3[nH]ccc23)OC1(C)C 169747670 WDVYWRZQLIGSEN-UHFFFAOYSA-N 261.105 2.606 30 50 CFEA C=C(CN1CCC[C@H](Oc2ccccc2Cl)C1)C(=O)O 2325852231 XBLHKBHETASZOT-LBPRGKRZSA-N 295.766 2.824 30 50 CFEA C=CCNc1nc(N)c(C(=O)c2ccc(F)cc2)s1 1866430 IIUFWBNDVWZKRM-UHFFFAOYSA-N 277.324 2.693 30 50 CFEA C=CCc1cc(-c2nccn2CC(=O)NC(C)C)ccc1O 77457541 NXSSQIUDDQLFNB-UHFFFAOYSA-N 299.374 2.509 30 50 CFEA COc1ccccc1[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 181278858 BSXIJYAOLOFNFH-HNNXBMFYSA-N 295.342 2.872 30 50 CFEA N#Cc1cccc(CN[C@H]2CCCO[C@@H]2c2ccncc2)c1 299740725 BJPOCDABZZAYAH-ZWKOTPCHSA-N 293.370 2.963 30 50 CFEA CC(C)c1ccc2c(S(N)(=O)=O)c(C#N)sc2c1 725344170 JLLWRYJUVNBQPG-UHFFFAOYSA-N 280.374 2.544 30 50 CFEA C=C(C)C[C@@H](C)C(=O)Nc1cc(OC)cnc1F 585128881 PXMKKNISRHPMDF-SECBINFHSA-N 252.289 2.770 30 50 CFEA CCSc1nc(N)c(C#N)c(-c2ccco2)c1C#N 19534964 GOUYQPFXXZWOTN-UHFFFAOYSA-N 270.317 2.779 30 50 CFEA O/C(=N/C[C@H]1CCO[C@@H]1c1ccccc1)c1cnccn1 328613265 RJFXSUQVDNMVNQ-UKRRQHHQSA-N 283.331 2.559 30 50 CFEA COC(=O)Cc1ccc(CNc2ncc(C#N)cc2C)cc1 1168567859 WLEMAIDOKKYOOG-UHFFFAOYSA-N 295.342 2.589 30 50 CFEA C=C(CN(Cc1ccc(F)cc1F)C(C)C)C(=O)O 2325852134 ULTFYXQKDDNUJR-UHFFFAOYSA-N 269.291 2.816 30 50 CFEA O=C(C[n+]1cc2ccccc2cn1)Nc1cccc(Cl)c1 2532624 SDSBIENMOXYQFH-UHFFFAOYSA-O 298.753 2.814 30 50 CFEA COc1ccc(CNCC#Cc2ccccc2)cc1 55562709 WSOFILBWIUJHTP-UHFFFAOYSA-N 251.329 2.837 30 50 CFEA CC[C@](C)(C#N)NC(=O)[C@H]1C[C@H]1c1ccc(C)s1 252498088 OUNXDNQANPREGP-UHIISALHSA-N 262.378 2.969 30 50 CFEA C=CCN(Cc1cccs1)C(=O)[C@H]1CC[C@@H](C(=O)O)C1 263199246 JPWQJFKBKNGGHW-NWDGAFQWSA-N 293.388 2.764 30 50 CFEA Fc1ccc(NC(=S)N/N=C/c2cccnc2)cc1 72123 BTVBQOMJUWHPEZ-CXUHLZMHSA-N 274.324 2.541 30 50 CFEA CC(C)C[N@]1C[C@@H]1COc1cccc(Cl)c1C#N 1875379672 TYLCALGGOJLIHQ-PIGZYNQJSA-N 264.756 2.931 30 50 CFEA C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1F 4838717 SNAHCBADKGPKML-UHFFFAOYSA-N 298.317 2.994 30 50 CFEA CC1(C)OB(Cc2cccc([N+](=O)[O-])c2)OC1(C)C 170005854 GRLYMFHDBKFELJ-UHFFFAOYSA-N 263.102 2.769 30 50 CFEA CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(C#N)cc1 184805521 MOCIOAXMFHXOKX-CVEARBPZSA-N 286.375 2.882 30 50 CFEA Cc1nnc(NC[C@H]2CCO[C@@H]2C(C)(C)C)c(C#N)c1C 189139319 BTEHKHCIHUFBKF-OCCSQVGLSA-N 288.395 2.828 30 50 CFEA CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1ncccc1C#N 190416645 BPFAQWVBJBSBMB-KBPBESRZSA-N 297.362 2.502 30 50 CFEA C#C[C@]1(OC(=O)c2ccccc2)C[C@H](C)N(C)C[C@@H]1C 5730026 OASDVQSPONGSRY-ZQIUZPCESA-N 271.360 2.576 30 50 CFEA Cc1ccc(C#N)c(N2CCC[C@@H]2[C@H]2CCCOC2)n1 1875305440 RDWKVPACFGZUBP-LSDHHAIUSA-N 271.364 2.657 30 50 CFEA Cc1cc(C)c(C#N)c(NC[C@@H]2C[C@H](C)O[C@@H]2C)n1 591193698 RDWUUPHFUQAGFI-XQQFMLRXSA-N 259.353 2.796 30 50 CFEA N#Cc1ccc(Cl)cc1I 39937520 YRQAIFRITOPIGE-UHFFFAOYSA-N 263.465 2.816 30 50 CFEA C[C@H]1C=CC=C[C@@H]2[C@H](C=C1)C(C#N)(C#N)C2(C#N)C#N 1501065326 VROSBNGGMQNCCD-MJBXVCDLSA-N 260.300 2.618 30 50 CFEA Cc1cc(C)nc(/N=C(/N)Nc2cccc(C)c2C)n1 4133359 HFOKJZVPXJPGRG-UHFFFAOYSA-N 269.352 2.769 30 50 CFEA C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](C)C1 5092560 AZBPRTGHNOEGDK-WBVHZDCISA-N 289.419 2.887 30 50 CFEA CCCCN(CCCC)/C(N)=N/c1nc(C)cc(C)n1 13110654 VZGLGTUOFFDSFE-UHFFFAOYSA-N 277.416 2.942 30 50 CFEA O=C(/C=C\NCC(=O)c1ccccc1)c1ccc(F)cc1 17489032 PRZDHRXJWNVQAG-KHPPLWFESA-N 283.302 2.995 30 50 CFEA CC1(C)C/C(=N\O)[C@@H]([C@@H](O)c2ccccc2)C(C)(C)N1 4535262 VGFIOZVWVYMGPY-CPYINGDQSA-N 276.380 2.717 30 50 CFEA COc1ccc2c(c1)[C@H](c1ccccc1)[C@@H](C=O)N2 101018734 NQDIUHFYUUWKBB-CVEARBPZSA-N 253.301 2.820 30 50 CFEA CC(C)(C)OC(=O)N[C@H](CC=O)c1ccc(F)cc1 149634361 SKKQVMWQYKIFSU-GFCCVEGCSA-N 267.300 2.981 30 50 CFEA N#Cc1cc(C(F)F)cc(Br)c1C(=O)O 263622904 BVTZZSMAVJQXBT-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA CCOC(=O)c1cc(F)c(C#N)c(Br)c1 263623952 MCWYMDMXDRFNHA-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA COCCOc1ccc(N[C@H]2CCC[C@H](C#N)C2)cn1 185868342 RDRLOGZJLOXWHC-STQMWFEESA-N 275.352 2.601 30 50 CFEA C=C[C@@H](C)OC(=O)c1cnc(-c2ccncc2)s1 187631572 JOWKTLVSCLQEJT-SECBINFHSA-N 260.318 2.936 30 50 CFEA Cc1n[nH]cc1CN(C)c1nc2c(cc1C#N)CCCC2 1529154106 XYFPOWNOMXKEOB-UHFFFAOYSA-N 281.363 2.500 30 50 CFEA CC1=C(C)/C(=N/OC(=O)c2ccc(C)cc2)C=CC1=O 457716 UFUYDCKTPQEXLP-SAPNQHFASA-N 269.300 2.983 30 50 CFEA C=C(C)C[C@H](C)C(=O)NCc1nnc2ccc(Cl)cn12 585127800 JOXAILLWCDCTIQ-JTQLQIEISA-N 292.770 2.601 30 50 CFEA CC#CC(=O)N[C@H](C)c1cn(C)c2ccc(C)cc12 1875377306 XIKMYTHSFMRRIU-GFCCVEGCSA-N 254.333 2.687 30 50 CFEA COc1ccccc1OCC#CCSc1ncccn1 2862738 JZQKHMKFYOBBFR-UHFFFAOYSA-N 286.356 2.660 30 50 CFEA C=CCn1cc(CN[C@H](C)Cc2ncccc2C)c(C)n1 55575627 JROKBLJSMCUZRL-CQSZACIVSA-N 284.407 2.802 30 50 CFEA C=CCOc1ccccc1CN(CC)Cc1cnc[nH]1 55405065 CGVQVEWIXSRCIB-UHFFFAOYSA-N 271.364 2.997 30 50 CFEA C#CCOc1ccc([C@H](C)Nc2cnn(C)c2)cc1 157367876 SCKHZJWBTVFENZ-LBPRGKRZSA-N 255.321 2.605 30 50 CFEA Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1c1cccnc1 335844438 WPYVCXIVYVKYKS-OAHLLOKOSA-N 281.315 2.832 30 50 CFEA CCN1CC[C@H](Nc2nc(C(C)C)ccc2C#N)C1 823104898 JJFWRRGAGIZLAG-ZDUSSCGKSA-N 258.369 2.583 30 50 CFEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1cnc(NCC)nc1 213280314 YNBRPQSWNBKMSE-JSGCOSHPSA-N 286.379 2.644 30 50 CFEA C=C(C)CN(CC)Cc1cc(O)ccc1[N+](=O)[O-] 212070 NSMAAFDROMCUOR-UHFFFAOYSA-N 250.298 2.698 30 50 CFEA Cc1ccccc1OCC(=O)Nc1ccccc1C#N 267800 PXTGBBCNOHTXPB-UHFFFAOYSA-N 266.300 2.884 30 50 CFEA CN(CCC[C@@H]1CCCO1)C(=O)c1cccc(C#N)c1 67514617 VBEMZZMVJIPZIM-OAHLLOKOSA-N 272.348 2.589 30 50 CFEA C[C@@H]1CCCC[C@H]1C(=O)N1CC(=O)Nc2ccc(C#N)cc21 332306502 OIGDSGDCUFCSOD-DGCLKSJQSA-N 297.358 2.670 30 50 CFEA C(#CCO[C@@H]1CCCCO1)CCCO[C@@H]1CCCCO1 45027777 BUMZREDAGRIUOY-HOTGVXAUSA-N 282.380 2.856 30 50 CFEA CNc1ccnc(-c2ccc(C(C)(C)C#N)cc2)n1 97402306 MGASNEIHBMVJAP-UHFFFAOYSA-N 252.321 2.986 30 50 CFEA COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cn1 618742310 MHHDSELQMHFOCV-MRXNPFEDSA-N 279.343 2.739 30 50 CFEA CC1(C)[C@@H]2C[C@@H]1CC1=C2[C@H]2C[C@H]1[C@H]1C(=O)C=CC(=O)[C@H]21 257356435 IAAHNVXYNAOIFL-JKKNIGQLSA-N 268.356 2.939 30 50 CFEA C[C@@H]1CCN(CCOc2ccc(C#N)cc2)C[C@@H]1C 16490025 STSLBMIQEBKTIF-KGLIPLIRSA-N 258.365 2.915 30 50 CFEA CCOCc1ccc(Nc2cncc(C#N)n2)cc1 1458209168 XZGJFTAZIGBWKO-UHFFFAOYSA-N 254.293 2.628 30 50 CFEA CC1(C)OB(c2cc(Cl)ncc2Cl)OC1(C)C 169745916 ROOZGFDFEKVFDG-UHFFFAOYSA-N 273.956 2.688 30 50 CFEA in-vitro C=CCCC(=O)N1[C@H](C(=O)OC)CC[C@@H]1c1ccccc1 170611773 VIVPNWJHARPWNU-CABCVRRESA-N 287.359 2.858 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C 585090157 OPJYJKOGMKSITR-RFQIPJPRSA-N 252.402 2.528 30 50 CFEA C#CCCCCCOC(=O)Cc1cc(C2CC2)no1 864087015 PKZDOSQUSRQEKD-UHFFFAOYSA-N 261.321 2.831 30 50 CFEA C#CCCC1(CCC(=O)N(Cc2ccccn2)C2CC2)N=N1 952883629 VWTOMPRNSFVAQM-UHFFFAOYSA-N 296.374 2.928 30 50 CFEA C=CCn1c(C)nnc1S[C@H](C#N)C1CCCC1 952884924 SGGZPPKYUVFTQI-GFCCVEGCSA-N 262.382 2.947 30 50 CFEA CC1(C)C[C@@H](O)CCN(Cc2ccccc2C#N)C1 294699590 ASXLMSZKVNOKNC-HNNXBMFYSA-N 258.365 2.541 30 50 CFEA N#Cc1cc(N[C@H]2c3ccccc3CC23CC3)ncn1 2325797366 IQSGJWVIVYAWGT-HNNXBMFYSA-N 262.316 2.838 30 50 CFEA C[C@@H]1CC[C@H]2CNC(=NC[C@@H]3CCC34CCC4)N2C1 2325864232 JPUNPXWAERMZPY-RDBSUJKOSA-N 261.413 2.626 30 50 CFEA COc1ccccc1N1CCN(/N=C\c2ccccc2)CC1 4892948 JULOIJGYISWIHJ-CYVLTUHYSA-N 295.386 2.851 30 50 CFEA C[C@H]1CN(c2ncc(C#N)cc2F)Cc2ccccc2O1 413302956 NJIPMZBQBCJSCM-NSHDSACASA-N 283.306 2.880 30 50 CFEA COCc1cccc(/C=C/c2nc(C(=O)O)ccc2C#N)c1 172817298 MMERAURZBLMERZ-FNORWQNLSA-N 294.310 2.968 30 50 CFEA N#Cc1ccc(-n2nc(C3CCOCC3)nc2C2CC2)cc1 97546446 PSYQZYMQZJBCHA-UHFFFAOYSA-N 294.358 2.910 30 50 CFEA O=C[C@@]12[C@H]3[C@H]4[C@H]5[C@H]6C[C@H]4[C@@H]1[C@@H]1C[C@@H]4[C@@H]6[C@@H]6[C@H]7[C@@H]([C@H]3[C@H]56)[C@H]2[C@H]1[C@@H]74 257357820 QERQQRCTVDBZKG-QGKYSCSGSA-N 290.406 2.563 30 50 CFEA N#Cc1cc(C(=O)N(CC(F)(F)F)C2CCCC2)ccn1 193657220 ONPMVGOTAGAVQC-UHFFFAOYSA-N 297.280 2.900 30 50 CFEA N#Cc1cnc(Sc2nnc(C3CCCCC3)o2)cn1 1875262024 SKSYBTFJSGJXQU-UHFFFAOYSA-N 287.348 2.930 30 50 CFEA C=CCN(CC=C)C(=O)c1ccc(NC(=O)CC)cc1 4814390 DEMGBDQOKQLNPS-UHFFFAOYSA-N 272.348 2.849 30 50 CFEA C#CC1(OC[C@@H](O)CN2C[C@@H](C)C[C@@H](C)C2)CCCCC1 35074999 OCYWTORKQAWKIA-BBWFWOEESA-N 293.451 2.678 30 50 CFEA CC1(C)N(O)C2=C(C(=O)c3ccccc32)[N+](=O)C1(C)C 377833860 CVBNVPZIBXEJQD-UHFFFAOYSA-N 273.312 2.592 30 50 CFEA CC(C)(CN1CCCC1)CN1CCC(C)(C#N)CC1 670454127 PQCRBFJKMQIAHR-UHFFFAOYSA-N 263.429 2.734 30 50 CFEA COCc1cc(C#N)ccc1NCCCOC(C)C 585092491 AHECRCYMIQSXAP-UHFFFAOYSA-N 262.353 2.932 30 50 CFEA CN1C(=O)/C(=C\C(=O)c2cccs2)c2ccccc21 618338 FXRHSOJHHUQOEY-LUAWRHEFSA-N 269.325 2.991 30 50 CFEA N#CC1(c2cc(C(=O)O)cc(C(F)(F)F)c2)CC1 1857778146 GYUYXPCHWCZIGM-UHFFFAOYSA-N 255.195 2.959 30 50 CFEA Clc1ccccc1CO/N=C1\CCCc2nonc21 141162 UOYHNGGMKVFOHU-RVDMUPIBSA-N 277.711 2.980 30 50 CFEA CC(=O)Oc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 349884 JKCWRLSTTVZEHU-UHFFFAOYSA-N 294.310 2.930 30 50 CFEA C=CCNC(=S)NC(=O)c1cccc2ccccc12 2842133 HLQBBOTWWCNCKW-UHFFFAOYSA-N 270.357 2.630 30 50 CFEA CC1(C)OB(CCOc2ccccc2N)OC1(C)C 170003888 KTZBRXOFKUOZFF-UHFFFAOYSA-N 263.146 2.740 30 50 CFEA CCC#CCN1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91585594 YRLUHSRSTQUJLK-GOSISDBHSA-N 288.435 2.514 30 50 CFEA CC(C)C[C@@H](N)B1O[C@H]2C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O1 169975526 YYXCDWMJTBCHJW-ZHZXCYKASA-N 265.206 2.627 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 585127868 LHGWBFZJFHJBGY-TZMCWYRMSA-N 288.395 2.531 30 50 CFEA CC(F)(F)c1nc(B2OC(C)(C)C(C)(C)O2)cs1 1857787293 FESUCHFAYPCVME-UHFFFAOYSA-N 275.129 2.554 30 50 CFEA N#CC1(C(=O)N2CC[C@H]2c2ccccc2F)CCC1 374030211 DWCBDCKLVHIZIK-ZDUSSCGKSA-N 258.296 2.793 30 50 CFEA COc1ccc(/C=C/C(=O)C(C)(C)OC(C)=O)cc1 370214 JXZRZEIPNITRFQ-JXMROGBWSA-N 262.305 2.619 30 50 CFEA C=C/C(O)=N/[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 328599186 QLAMIOUZJIFBDF-DZGCQCFKSA-N 294.782 2.854 30 50 CFEA CC(C)(C)n1nc(-c2ccc(F)cc2)c(C#N)c1N 167632 VSMJGUHIVXQFGB-UHFFFAOYSA-N 258.300 2.898 30 50 CFEA biogenic C=C(C)C[C@@H](C)C(=O)N1CC(=O)Nc2c(F)cccc21 253432247 XJNQVZXHGOFKQV-SNVBAGLBSA-N 276.311 2.713 30 50 CFEA CC[C@@H](Nc1cc(C)c(C#N)c(C)n1)[C@H]1C[C@H](O)C1 244691815 JJTSIZUNBCXGSL-YRGRVCCFSA-N 259.353 2.532 30 50 CFEA C[C@]12C[C@@H](O)[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@H]3[C@H]1CCC2=O 257358555 VDCOSJPGDDQNJH-LMWURNKKSA-N 288.387 2.668 30 50 CFEA CC(C)[C@@H](O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169936372 XEDOTLRWWKUYQW-CQSZACIVSA-N 276.185 2.675 30 50 CFEA in-vitro N#C[C@@H](CC(=O)O)c1ccc(Br)cc1 39953802 AYOMFJWRKMHFBL-MRVPVSSYSA-N 254.083 2.531 30 50 CFEA in-vitro Cc1ccccc1C(=O)NC(=S)Nc1ccc(C#N)cc1 358826 DTRLQSKISXJICX-UHFFFAOYSA-N 295.367 2.994 30 50 CFEA COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 514286 GULRAWGKFGVHCU-LBPRGKRZSA-N 296.326 2.973 30 50 CFEA CN(C)CCCO/N=C(\c1ccccc1)c1ccncc1 1955017 PJCUXPDXOCHNIN-HTXNQAPBSA-N 283.375 2.802 30 50 CFEA C=CCC(O)(CC=C)[C@H](C)NC(=O)c1ccnc(Cl)c1 20535467 APNZSHJWDTYJAI-NSHDSACASA-N 294.782 2.737 30 50 CFEA N#Cc1nc(N2CCc3ccccc3[C@@H]2CO)ccc1Cl 563423604 HKZKCLNREHMXFG-HNNXBMFYSA-N 299.761 2.703 30 50 CFEA N#Cc1cncc(N2CCCC[C@H]2c2ccc(F)cn2)n1 575603845 PEEDGAQLIXSIFK-AWEZNQCLSA-N 283.310 2.614 30 50 CFEA C#Cc1ccc(CNCc2cn(C)nc2C(C)(C)C)cc1 585118112 BXGPHVSVKIIMJI-UHFFFAOYSA-N 281.403 2.989 30 50 CFEA C=C(C)C[C@H](C)C(=O)NC[C@H]1CCc2cccnc21 585122570 BKYUMSJIENDSDC-GXTWGEPZSA-N 258.365 2.830 30 50 CFEA CC1(C)OB(c2ccccc2NCl)OC1(C)C 216632678 DJBRUWMPKXRRHI-UHFFFAOYSA-N 253.538 2.552 30 50 CFEA C/C(=C\c1ccco1)C(=O)c1c(C)cc(C)[nH]c1=O 13285461 YJGJPDIGZOCJQB-CSKARUKUSA-N 257.289 2.871 30 50 CFEA C=CCCc1ccccc1NC(=O)N[C@H]1C[C@H](C(=O)O)C1 871655485 CCLHOBNFVYXHPR-JOCQHMNTSA-N 288.347 2.790 30 50 CFEA Cc1ncncc1COC(=O)[C@H](C)c1ccc(C#N)cc1 1875269868 PCERJRUTHXADHM-LLVKDONJSA-N 281.315 2.504 30 50 CFEA C=CCn1c(-c2cc(OC)cc(OC)c2)n[nH]c1=S 2477764 GQNBPSAIMKYLNC-UHFFFAOYSA-N 277.349 2.811 30 50 CFEA N/C(=N/O)c1cccnc1Sc1ccc(Cl)cc1 3883840 IQHQZPHPAOPOJO-UHFFFAOYSA-N 279.752 2.981 30 50 CFEA COC(=O)c1cccn1-c1cccc(Cl)c1C#N 4054821 QXVCEAHJIUTHKI-UHFFFAOYSA-N 260.680 2.789 30 50 CFEA C=CCN(Cc1ccccc1)C(=O)c1ncccc1OC 71752468 GTDMRYUQFOUKIT-UHFFFAOYSA-N 282.343 2.919 30 50 CFEA CCN1/C(=C\C(C)=O)Sc2ccc(OC(C)=O)cc21 100766570 RLEOCVDWLAYGRX-VGOFMYFVSA-N 277.345 2.974 30 50 CFEA in-vitro CSc1nc(N)c(C#N)c(-c2ccccc2)c1C#N 19595490 SXAFBVAFDVTZLS-UHFFFAOYSA-N 266.329 2.796 30 50 CFEA C=CC[C@H]1CCC[C@H]1NC(=O)c1coc(/C=C/C(=O)O)c1 1875270590 AVWJHZITLRIWOA-FTWBLAIESA-N 289.331 2.852 30 50 CFEA C=CC(=O)N(Cc1ccc2c(c1)OCC2)CC1(C#N)CCC1 1875388809 RBDJGLKMYWJBBS-UHFFFAOYSA-N 296.370 2.830 30 50 CFEA N#Cc1cncc(C(=O)N2CC[C@@H](c3ccccc3)C2)c1 1875336775 MIIGOIRJAQKIIL-OAHLLOKOSA-N 277.327 2.583 30 50 CFEA O=C(/C=C/c1cn(C2CCC2)nn1)c1cnn2ccccc12 888099543 PLRLMHGCQMREGF-BQYQJAHWSA-N 293.330 2.547 30 50 CFEA O=C1C(Cl)=C(Cl)[C@@H]2[C@H]1[C@H]1C=C(Cl)[C@@]2(Cl)C1=O 104129305 RDFNEVSQEPGJFK-YYTOJNMSSA-N 297.952 2.804 30 50 CFEA CC1(C)OB(c2cc(C(F)(F)F)ccc2C#N)OC1(C)C 169746642 IUMGFEGPPUQZBJ-UHFFFAOYSA-N 297.085 2.876 30 50 CFEA in-vitro CCOc1cccc2[nH]cc(CC(=O)N[C@@H](C#N)C3CC3)c12 189689368 YKLDZMRZGDSYSZ-AWEZNQCLSA-N 297.358 2.527 30 50 CFEA CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccoc1)c1ccccc1 191820788 KGRCIRULSQSBSV-GJZGRUSLSA-N 296.326 2.870 30 50 CFEA Cc1ccc(/C=N/n2c(S)nnc2-c2cccnc2)cc1 1293667 USOWKTGPNVEWRD-RQZCQDPDSA-N 295.371 2.819 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1Cc1cccc(F)c1F 12283384 PXWVJWNNXRNRBP-CYBMUJFWSA-N 294.345 2.622 30 50 CFEA C=CCn1c(CNC(=O)CCC)nc2ccccc21 2721289 GFNADPNWQATTBK-UHFFFAOYSA-N 257.337 2.639 30 50 CFEA C=CCN(CC=C)C(=O)CCc1ccc(OC)cc1 6128021 CCLBNXSHNHWBEO-UHFFFAOYSA-N 259.349 2.828 30 50 CFEA C[C@@]12C3=CC(=O)C=C1C(O)=CC1=CC(=O)C=C(C=C3)[C@]12C 100818779 IKCBSIYEWLIYOE-QZTJIDSGSA-N 278.307 2.895 30 50 CFEA COc1nc(C)c(-c2ccc(O)cc2)c(C)c1C#N 67817593 QAZCPFQHJOTION-UHFFFAOYSA-N 254.289 2.951 30 50 CFEA CN(Cc1ncc[nH]1)Cc1cccn1-c1cccc(C#N)c1 71422175 QPNFCDVPZOEJCB-UHFFFAOYSA-N 291.358 2.704 30 50 CFEA COC(=O)[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 169745250 SXBXVZNWDYRGPR-JTQLQIEISA-N 266.146 2.517 30 50 CFEA in-vitro Cc1ccc(N(CCC#N)C(=O)c2ncccc2O)cc1 170601241 CSCWCVOVVYVHMY-UHFFFAOYSA-N 281.315 2.656 30 50 CFEA N#Cc1ccc(C(=O)N2CCCCC[C@H]2c2ncon2)cc1 189592798 NTDYCOBUKYPKJM-AWEZNQCLSA-N 296.330 2.699 30 50 CFEA CN1CC[C@H](CNCc2cc(C#N)n(C)c2)c2ccccc21 190844060 CBTSFEGOUQEGEF-OAHLLOKOSA-N 294.402 2.610 30 50 CFEA C[C@H](C(=O)N1CC(F)(F)C[C@H]1C#N)c1ccccc1 1875370098 BMCNZOUKWHYDCZ-JQWIXIFHSA-N 264.275 2.550 30 50 CFEA O=C(O)[C@@H](/N=C/c1ccccc1O)c1ccccc1 19878595 ARFOXNLXIVCEMA-KNGSKEOJSA-N 255.273 2.637 30 50 CFEA Cc1cc(C)n(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n1 169743731 SERWCEBXGSSDRB-UHFFFAOYSA-N 298.195 2.788 30 50 CFEA O/C(Cc1ccccc1F)=N/C[C@H]1CCn2ccnc2C1 328624383 JUWOSZOLNLSNLZ-LBPRGKRZSA-N 287.338 2.784 30 50 CFEA CC(C)c1ncc(/C(O)=N/Cc2ccn(C)n2)s1 330570203 MQAMAVXEMWSTQX-UHFFFAOYSA-N 264.354 2.505 30 50 CFEA CCOC(=O)[C@H](Cc1ccccc1)/N=C(\C)OCC 44125284 UIIXLOBHTBGESY-AOHITCTBSA-N 263.337 2.616 30 50 CFEA N#Cc1c(Br)cccc1N1CCCC1 85476986 VIXWRCUVPHIHME-UHFFFAOYSA-N 251.127 2.921 30 50 CFEA in-vitro CCCCN(C)C(=O)CSc1ncc(C#N)cc1Cl 160702580 MKBCTFCDIMPBBV-UHFFFAOYSA-N 297.811 2.957 30 50 CFEA C#CCCC1(CCC(=O)Nc2ccc3c(c2)OCCO3)N=N1 952880867 JTWKJHPRYCNWSO-UHFFFAOYSA-N 299.330 2.752 30 50 CFEA Cn1cncc1CO/N=C1/CCCc2sccc21 1875264689 ARJMVGWTFWPABH-QINSGFPZSA-N 261.350 2.739 30 50 CFEA O=C1C(=C2Nc3ccccc3N2)C(=O)c2ccccc21 100538585 WHSAAXAZFCTCNG-UHFFFAOYSA-N 262.268 2.815 30 50 CFEA CSc1nnc(C(F)F)n1/N=C/c1ccc(O)cc1 2789554 SXDIWAACVKQFAY-MKMNVTDBSA-N 284.291 2.525 30 50 CFEA COc1cc(C/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)ccc1C 329837331 IEGVTSCTUVXEOU-CQSZACIVSA-N 299.374 2.783 30 50 CFEA COc1ccc(C)cc1C/C(O)=N/[C@H]1CCc2c[nH]nc2C1 329886478 WDFMYBMPPGTLAW-AWEZNQCLSA-N 299.374 2.783 30 50 CFEA CCCCCCCCCCCC(=O)N(CCN)CCN 101012047 CACWQNPWKQPNLQ-UHFFFAOYSA-N 285.476 2.653 30 50 CFEA CC(C)n1ccc(NCCOc2ccc(C#N)cc2)n1 280040952 MDHNLNKWKOIHPU-UHFFFAOYSA-N 270.336 2.827 30 50 CFEA CCOC(=O)/C=C(/B1OC(C)(C)C(C)(C)O1)C1CC1 1857785479 RJEBCYDIYWYWNB-PKNBQFBNSA-N 266.146 2.517 30 50 CFEA O=C([C@H]1CO1)N1CCc2ccccc2[C@H]1Cc1ccccc1 1875373102 UCTCJFKRYNHJQA-QZTJIDSGSA-N 293.366 2.754 30 50 CFEA N#Cc1cccc(OCc2ccc3c(n2)NCC3)c1F 2356146303 ACVMQYCXQGFULS-UHFFFAOYSA-N 269.279 2.639 30 50 CFEA O=C(Nc1ccccc1)[C@]12C[C@@H]1/C(=N/O)c1ccccc1O2 103856983 FPXPIEZPAXSELW-UATXZWOKSA-N 294.310 2.655 30 50 CFEA C=CCCN1C(=O)CS/C1=C\C(=O)C(C)(C)C 172642735 OHTMTJARJXBBMJ-WQLSENKSSA-N 253.367 2.595 30 50 CFEA COCC1(CNC(=O)Nc2cccc(C#N)c2)CCCC1 95528689 CRFHSRUSMCPFKH-UHFFFAOYSA-N 287.363 2.887 30 50 CFEA CC1(C)OB(c2cccc(Cl)c2F)OC1(C)C 169984367 NTHMFEYDRUMMGR-UHFFFAOYSA-N 256.513 2.778 30 50 CFEA in-vitro C=CCSc1nc(=O)c(C#N)c(-c2ccccc2)[nH]1 12731493 GWGKADDUPDQNBU-UHFFFAOYSA-N 269.329 2.587 30 50 CFEA CC1(C)CN(c2ccnc(C#N)n2)[C@H]1c1ccccc1 952887268 MHRNLIVYJUMNBJ-HNNXBMFYSA-N 264.332 2.936 30 50 CFEA CN(CCC#N)C(=O)c1cc(Cl)ccc1Cl 4734851 XPDIORDXAZUAPD-UHFFFAOYSA-N 257.120 2.979 30 50 CFEA C#CCOc1ccc(C(=O)Nc2ccccc2OC)cc1 6742936 UNUXQNAUDLWEAI-UHFFFAOYSA-N 281.311 2.960 30 50 CFEA C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)NC)cc1 184988926 ILADVHAWVXTMRV-LLVKDONJSA-N 260.337 2.587 30 50 CFEA CC(C)C[C@@H](C#N)NC(=O)c1ccc2nc(S)oc2c1 170632312 MNUGALKUEHKOPJ-JTQLQIEISA-N 289.360 2.785 30 50 CFEA C[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 225159624 XEYJCGJAFIJQDT-QWHCGFSZSA-N 271.364 2.617 30 50 CFEA N#Cc1ccc(N2CCC(N3C[C@H]4CCC[C@@H]3C4)CC2)nc1 247695432 ZOOAIHSHGISXIA-WMLDXEAASA-N 296.418 2.796 30 50 CFEA N#Cc1cc(CN2CCN3CCCC[C@H]3C2)c(F)cc1F 1237526751 QWVCDGKMBSXPDF-AWEZNQCLSA-N 291.345 2.507 30 50 CFEA Cn1c2c(c3cc(OC[C@@H]4CO4)ccc31)CCCC2 1875378520 FGDBALQBUYMBKG-GFCCVEGCSA-N 257.333 2.835 30 50 CFEA C/C(=N\Nc1nc(C)cc(C)n1)c1ccc([N+](=O)[O-])cc1 4897843 SEMOIFGFJSLESU-GZTJUZNOSA-N 285.307 2.838 30 50 CFEA O=C1Nc2ccccc2/C1=C1\Nc2ccccc2\C1=N/O 100116081 HBDSHCUSXQATPO-OIXOFKMYSA-N 277.283 2.654 30 50 CFEA C=CC[C@H](CO)CNc1nccc(-c2ccc(OC)cc2)n1 450419468 IAWZHZABDVGDGX-ZDUSSCGKSA-N 299.374 2.749 30 50 CFEA CC(C)(C)OC(=O)N1CC[C@H](CC#N)C(F)(F)C1 259987673 SIPFKQBCHBXCOL-VIFPVBQESA-N 260.284 2.792 30 50 CFEA N#Cc1nccnc1NCCc1cc2ccccc2o1 169992095 XEZVRTPLUIFHNF-UHFFFAOYSA-N 264.288 2.749 30 50 CFEA C=CCCCn1c(=O)cc2ccc(Br)cn21 408518782 ZOZIUVUHRVLLBA-UHFFFAOYSA-N 281.153 2.830 30 50 CFEA N#Cc1cncc(N2CC3(CCOCC3)c3ccccc32)n1 575603586 HCOXFNRADNHXIC-UHFFFAOYSA-N 292.342 2.548 30 50 CFEA C=CCN(Cc1ccccc1C)C(=O)[C@H](O)C(C)C 1506417656 KLOVUQISRPVYLM-OAHLLOKOSA-N 261.365 2.527 30 50 CFEA C=C(COc1ccc(Cl)cc1C(=O)CC)C(=O)O 2325860671 PECGYQLMWBZNQX-UHFFFAOYSA-N 268.696 2.952 30 50 CFEA CSC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)S1 4755202 HPYQSGIRZNDAME-TWGQIWQCSA-N 280.330 2.928 30 50 CFEA C=CCn1cc(CNCc2ccc(Cl)nc2)c(C)n1 55370711 VTXWKCFNPGLIMG-UHFFFAOYSA-N 276.771 2.716 30 50 CFEA C=C(COc1ccc(F)c(Br)c1)C(=O)O 137484926 ZOYGHWAFSUVANN-UHFFFAOYSA-N 275.073 2.608 30 50 CFEA CCc1noc(C)c1/C(O)=N/[C@]1(C)CCO[C@@H]1C1CC1 329592295 ZGCCEGFFUACMFX-UKRRQHHQSA-N 278.352 2.808 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)CC[C@H]1CCOC1 328610741 JAXLEXPBCOGDJR-GZBFAFLISA-N 269.385 2.821 30 50 CFEA CCn1c(C)nc2cc(C#N)cc(Br)c21 95496077 DIYQLTZBWMFQBD-UHFFFAOYSA-N 264.126 2.999 30 50 CFEA Cc1[nH]cnc1CN1CCC(C#N)(c2ccccc2)CC1 299785460 RKVSNIFNWYZKDQ-UHFFFAOYSA-N 280.375 2.776 30 50 CFEA C=C(C)C[C@H](C)C(=O)NCCc1cccc(OCC)n1 584908650 AMKOLMZZKSFNFT-ZDUSSCGKSA-N 276.380 2.741 30 50 CFEA C#CCCC1(CCC(=O)N2c3ccncc3C[C@H]2C)N=N1 952881196 GBAUBVITJWYRKQ-GFCCVEGCSA-N 282.347 2.715 30 50 CFEA N#Cc1cccnc1SCC(=O)Nc1ccccc1F 7051603 MSPYKTQKJFXMSU-UHFFFAOYSA-N 287.319 2.823 30 50 CFEA C=C(C)COc1cccc(C(=O)NCc2cncn2CC)c1 55200350 IJSWMLRQFWGZPB-UHFFFAOYSA-N 299.374 2.788 30 50 CFEA Cc1cc(=NC(=O)C(C)(C)CC(C)C)[nH]n1CCC#N 330596274 UYWQCQXAIXQMFV-UHFFFAOYSA-N 276.384 2.538 30 50 CFEA CCOC(=O)CN[C@@H](C#N)c1ccc(Cl)c(Cl)c1 221523516 UXJHSXANLGPYMH-NSHDSACASA-N 287.146 2.711 30 50 CFEA C[C@@H](C#N)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 204258680 OJJCHFBGYNZHLW-NSHDSACASA-N 257.142 2.613 30 50 CFEA in-vitro Cc1nsc(NCC2CCSCC2)c1C#N 135578088 ZESIAAALABFERS-UHFFFAOYSA-N 253.396 2.878 30 50 CFEA CNc1c2c(c(C#N)c3nc4ccccc4n13)CCC2 308217 BTSOEVGNPIONKF-UHFFFAOYSA-N 262.316 2.890 30 50 CFEA C#CCOc1ccc(C(=O)Nc2ccccc2)cc1 6746473 XWHIJAGRJZIIAZ-UHFFFAOYSA-N 251.285 2.951 30 50 CFEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccoc1CC 281230916 FBMXULBHNVEZRS-FZMZJTMJSA-N 263.337 2.553 30 50 CFEA Cc1ccc(/C=N/n2c(S)nnc2-c2ccco2)o1 1297599 RANHPQOHQCZVTN-NTUHNPAUSA-N 274.305 2.610 30 50 CFEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1F 169988737 MFOBCRYATGDWOR-UHFFFAOYSA-N 250.122 2.742 30 50 CFEA N#Cc1cnc(N2CC[C@@H](c3ccncc3)C2)c(Cl)c1 599100461 IKAMUZQZGVQGTQ-CYBMUJFWSA-N 284.750 2.996 30 50 CFEA C[C@@H]1C[C@H]1c1nnc2ccc(Oc3ccccc3C#N)nn12 2325790413 JVVDGVGRNZEUSI-ZYHUDNBSSA-N 291.314 2.912 30 50 CFEA CSC1CCC(CN=C2NC[C@H]3CC[C@H](C)CN23)CC1 2325863244 BIYKKPJOPIRKDK-FGZQJIAISA-N 295.496 2.968 30 50 CFEA C=CCN1CCN(C(=O)c2csc3ccccc23)CC1 55069910 PYURKIMMNURVIK-UHFFFAOYSA-N 286.400 2.845 30 50 CFEA Cc1cccc(NC[C@H]2CCN(c3cc(C#N)ccn3)C2)n1 283711873 DYOFJYQSKYCDME-OAHLLOKOSA-N 293.374 2.595 30 50 CFEA C[C@H]1CN(Cc2ccccc2C#N)CC[C@]1(O)C1CCC1 1565506784 HHIRZVSBIFBYBU-KBXCAEBGSA-N 284.403 2.931 30 50 CFEA Cc1cc(C)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 4066949 NBMGCWVRARSKME-VMPITWQZSA-N 298.298 2.796 30 50 CFEA C=CCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2391708 UGTKWOXHHSBNNQ-UHFFFAOYSA-N 269.341 2.664 30 50 CFEA in-vitro Cc1cccc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1 354860492 VDGSINDKOFOTGG-INIZCTEOSA-N 279.343 2.840 30 50 CFEA C[C@H](C(=O)N1CC(F)(F)C[C@@H]1C#N)c1ccccc1 1875370097 BMCNZOUKWHYDCZ-CMPLNLGQSA-N 264.275 2.550 30 50 CFEA C=CC[C@H](C(=O)NCc1n[nH]cc1C)c1ccccc1 1775987846 ZAAINUDVQLYRPH-AWEZNQCLSA-N 269.348 2.694 30 50 CFEA Cc1ccc(S(=O)(=O)OCC23CCC(CC2)OC3)cc1 117214127 RCVPGQPTEDHOAQ-UHFFFAOYSA-N 296.388 2.660 30 50 CFEA CC1(C)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2O1 1535645828 DDUNITZBUMPWJF-UHFFFAOYSA-N 274.169 2.699 30 50 CFEA CC1(C)OB(c2cc(C(F)(F)F)ccc2N)OC1(C)C 169996890 GFSAGCJSHFVPJZ-UHFFFAOYSA-N 287.090 2.587 30 50 CFEA in-vitro CC(C)(c1ccc(F)cc1)C1(NC(=O)CC#N)CC1 456788766 ZZTFGIBXGRNBPB-UHFFFAOYSA-N 260.312 2.666 30 50 CFEA CNc1oc([C@@H]2C[C@H]2c2ccc(F)cc2)nc1C#N 1775976797 UXKFATQMIYTUJM-WDEREUQCSA-N 257.268 2.998 30 50 CFEA Cc1ccc([C@H](C)NC(=O)c2cc(F)cc(C#N)c2)cn1 1857704636 AFPNXJGOZDCULI-NSHDSACASA-N 283.306 2.892 30 50 CFEA C(=N/N=c1cc[nH]cc1)\c1csc(-c2ccco2)n1 1875258311 BEPMTXLEEBAPER-OVCLIPMQSA-N 270.317 2.666 30 50 CFEA O=[N+]([O-])c1ccc(F)c(/N=C/c2ccc([N+](=O)[O-])o2)c1 2891334 SAXZCFWVIKPTTI-AWNIVKPZSA-N 279.183 2.986 30 50 CFEA C/C(=C\C(=O)ONC(=O)c1ccccc1)Nc1ccccc1 102106455 CKAQBCJYEAFZFW-OUKQBFOZSA-N 296.326 2.891 30 50 CFEA O=C(O)C1CCC(/N=C(/O)c2scnc2Cl)CC1 328591379 VSZQZEFFAOVZPB-UHFFFAOYSA-N 288.756 2.745 30 50 CFEA CC(=O)N1C(=O)/C(=C/C(=O)c2ccccc2)c2ccccc21 32650042 LYEPOPHKDRFMGL-RVDMUPIBSA-N 291.306 2.846 30 50 CFEA N#Cc1cnc2ncc(Br)cc2c1Cl 95707870 NNMBKEMIEHGWPL-UHFFFAOYSA-N 268.501 2.917 30 50 CFEA Cc1cc(-n2cccn2)ccc1CN1CCC[C@H](C#N)C1 97288850 OPRNHYDUTAQYTA-OAHLLOKOSA-N 280.375 2.916 30 50 CFEA C[C@]12C[C@@H]3O[C@]34[C@H](CCC3=CC(=O)C=C[C@@]34C)[C@@H]1CCC2=O 257356133 GCLIXCGWTLQNCF-JIYJMNMHSA-N 298.382 2.995 30 50 CFEA C[C@]1(C#N)CCCN(C2CCN(Cc3ccco3)CC2)C1 670467423 WTXHAQQOPXNLMU-QGZVFWFLSA-N 287.407 2.870 30 50 CFEA CCOC(=O)/C(=N\O)C1=NC(C)(C)[C@H](C)c2ccccc21 5042482 YJSXMFQDZMQNLO-QBHMUIJLSA-N 288.347 2.765 30 50 CFEA C#CCCC1(CCC(=O)N[C@@H]2C[C@H]2c2ccco2)N=N1 888096424 UVOCIBLUJVOMOM-VXGBXAGGSA-N 271.320 2.607 30 50 CFEA C#C[C@]1(OC(=O)c2ccccc2)C[C@@H](C)N(C)C[C@@H]1C 2250346 OASDVQSPONGSRY-VBQJREDUSA-N 271.360 2.576 30 50 CFEA C/C(=N\Nc1nccnc1Cl)c1ccc(O)c(C)c1 4595741 TWVXFJBZPYPNAJ-RQZCQDPDSA-N 276.727 2.980 30 50 CFEA O=C(O)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 4712988 PKSIGRHGOAUKCG-OQLLNIDSSA-N 285.259 2.739 30 50 CFEA O=[N+]([O-])c1ccc(O)c(/N=C/c2ccccc2O)c1 4994662 BCOROSGFRRAIGD-RIYZIHGNSA-N 258.233 2.757 30 50 CFEA CCc1cn[nH]c1[C@H]1CCCN(c2nc(C)ccc2C#N)C1 67842487 OLZPBLPQTCUQFL-HNNXBMFYSA-N 295.390 2.931 30 50 CFEA CC(C)=C[C@@H]1[C@@H](C(=O)[C@H](C#N)C(=O)c2nccn2C)C1(C)C 230231663 WWTYEBSGNHZYCD-XQQFMLRXSA-N 299.374 2.550 30 50 CFEA CC1(C)CC(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)C1 334306332 HAEXFOMKIHOOFB-WMLDXEAASA-N 290.407 2.876 30 50 CFEA CC[C@H](CC#N)NC(=O)c1cccc([C@@H]2CCCN(C)C2)c1 585089453 NUIWMEJLVVSWCM-IAGOWNOFSA-N 299.418 2.918 30 50 CFEA N#CCOc1c(-c2ccco2)oc2ccccc2c1=O 1791309 UKLFEDRAJIJQPA-UHFFFAOYSA-N 267.240 2.955 30 50 CFEA C[C@@H]1CC[C@@H](NC(=O)c2c[nH]nc2-c2cccc(C#N)c2)C1 2325797375 LJMKDRDYWIJUEN-BXUZGUMPSA-N 294.358 2.867 30 50 CFEA C=CCn1cc(CN(CC2CC2)C[C@@H]2CCCO2)c(C)n1 55109296 BPFMXYJPNGOZLQ-KRWDZBQOSA-N 289.423 2.769 30 50 CFEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cnc(NCC)nc1 67947784 YNBRPQSWNBKMSE-TZMCWYRMSA-N 286.379 2.644 30 50 CFEA C=CC[C@]1(C(=O)O)CCCN(Cc2ccccc2C#N)C1 91382044 HFTNHEYGZDFRKB-KRWDZBQOSA-N 284.359 2.801 30 50 CFEA CC(C)c1ccc(O)c(B2OC(C)(C)C(C)(C)O2)c1 206117185 QHFMIDSXASBIIJ-UHFFFAOYSA-N 262.158 2.815 30 50 CFEA CC1(C)OB(c2cc(O)cc(C(F)(F)F)c2)OC1(C)C 206122903 XGKZVUZMNQRGSU-UHFFFAOYSA-N 288.074 2.710 30 50 CFEA C[C@H]1CN(Cc2cc(F)ccc2C#N)C[C@H](C2CC2)O1 279324159 OITUIRUNLINFGV-MEDUHNTESA-N 274.339 2.697 30 50 CFEA C[C@H](C#N)N1CCO[C@@H](c2cccc(Br)c2)C1 222274741 HWMPBCSRALMDCC-ZWNOBZJWSA-N 295.180 2.734 30 50 CFEA O=C(/C=C/c1ccccc1)NCC#Cc1ccccc1 3132246 GHEORJVKDALSEC-BUHFOSPRSA-N 261.324 2.868 30 50 CFEA Fc1ccc(/C=N/n2c(S)nnc2-c2ccncc2)cc1 1240547 LKUWPRADSVDGII-RQZCQDPDSA-N 299.334 2.650 30 50 CFEA CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)[C@@H]1CO1 12351577 QBDJHEUSBYIOGK-KBPBESRZSA-N 277.364 2.911 30 50 CFEA C=CCc1cc(OC)ccc1OCCCNCCCOC 3000822 LJPMUIANJXKDDF-UHFFFAOYSA-N 293.407 2.819 30 50 CFEA CC(C)=NOC(=O)c1c(F)c(F)c(F)c(F)c1F 4991569 PHRGKCMEFPMUKU-UHFFFAOYSA-N 267.153 2.935 30 50 CFEA CCCc1nnc(/N=C(\O)CN2CCC[C@@H](C)C2)s1 20028129 FZMNNNYQIZFKRX-SNVBAGLBSA-N 282.413 2.811 30 50 CFEA COc1ccccc1[C@H]1CCCN1c1cnc(C#N)cn1 123650769 LSXJOFPZFOCIPB-CQSZACIVSA-N 280.331 2.698 30 50 CFEA Cc1ccnc(N2CCO[C@]3(C[C@H]4CC[C@H]3C4)C2)c1C#N 374141776 IGPNGGGGWGCFKJ-GRDNDAEWSA-N 283.375 2.657 30 50 CFEA Cc1c(CN[C@@H]2CCOc3ccccc32)cc(C#N)n1C 130675116 RIHOPTLWMQDHGL-MRXNPFEDSA-N 281.359 2.819 30 50 CFEA CN(C)C(=O)c1ccccc1OCc1cccc(C#N)c1 356041056 ZAXJRSRSLWBGMI-UHFFFAOYSA-N 280.327 2.839 30 50 CFEA C[C@@H]1CC[C@H]2CNC(=NC[C@H]3CCCSCC3)N2C1 2325863598 POELCRNNBUPADZ-RDBSUJKOSA-N 281.469 2.579 30 50 CFEA CC[C@]1(O)CCC[C@H]2CN(c3nc(C)cc(C)c3C#N)C[C@H]21 2356134455 NWVFJKFTJMZJSC-LESCRADOSA-N 299.418 2.948 30 50 CFEA C=CCOc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 4842569 BKYJZCLSXTZDKB-STQMWFEESA-N 275.348 2.501 30 50 CFEA COC[C@H](C)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 330931922 WELYXLBKWAQNHD-NUEKZKHPSA-N 286.375 2.567 30 50 CFEA C=CCS[C@H](C)C(=O)N1CCCN(C2CCCC2)CC1 71385531 GSWKZICQPXRMRX-CQSZACIVSA-N 296.480 2.771 30 50 CFEA CC(=N/Nc1ccccc1)/C(=N/O)C(=O)Nc1ccccc1 40457324 IQRAHLCXWWBGLE-SMLAIHFBSA-N 296.330 2.943 30 50 CFEA CC(C)c1ccc(C(=O)N[C@H](C#N)C2CC2)cc1[N+](=O)[O-] 188096786 QYXNRPRJSQEUHG-CYBMUJFWSA-N 287.319 2.750 30 50 CFEA N#Cc1cccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)c1 215948559 FCNANJVGYKBAPO-IRXDYDNUSA-N 270.376 2.685 30 50 CFEA Cc1n[nH]c(=S)n1/N=C/c1ccccc1Br 5730846 LCFBUNGJAZANOX-WUXMJOGZSA-N 297.181 2.894 30 50 CFEA C#CCCCS(=O)(=O)N1CC(C)(C)[C@H]1c1ccccc1 952888340 VSQFCPKSPCISFU-OAHLLOKOSA-N 291.416 2.813 30 50 CFEA CC1(C)OB(c2cc([N+](=O)[O-])ccc2Cl)OC1(C)C 307456701 GCWCQNREDSJDGQ-UHFFFAOYSA-N 283.520 2.547 30 50 CFEA C=C[C@@H](C(=O)NC[C@@H](C)Cn1ccnc1C)c1ccccc1 1329611212 SEPCAOKFECYDSL-RHSMWYFYSA-N 297.402 2.914 30 50 CFEA CC(C)N(C)c1ccc(/C=C/C(=O)c2csnn2)cn1 585086300 PIEWSIVXEGXAMB-GQCTYLIASA-N 288.376 2.674 30 50 CFEA C[C@H]1CN([C@H](C#N)c2ccc(Br)cc2)CCO1 238937404 VCIWPYYCAPRKTH-GXFFZTMASA-N 295.180 2.734 30 50 CFEA O=[N+]([O-])c1cccc(/C=N/c2cc([N+](=O)[O-])ccc2O)c1 1751166 DWHJMJYTAJZJIH-RIYZIHGNSA-N 287.231 2.959 30 50 CFEA C=CC1(CC(=O)Nc2c[nH]c(C(N)=O)c2)CCCCC1 934508985 UMUZFJLVRFXPHM-UHFFFAOYSA-N 275.352 2.579 30 50 CFEA N#Cc1ccc(SCc2noc(-c3ccco3)n2)nc1 1875257021 BGSIYSXEBYOMPE-UHFFFAOYSA-N 284.300 2.889 30 50 CFEA COc1ccc(-c2csc(N)c2C#N)cc1OC 2584880 QEDSBOVKPQYQKK-UHFFFAOYSA-N 260.318 2.886 30 50 CFEA O/N=C1\CCCc2c1nc(-c1ccccc1Cl)n2O 4730358 GACKQIPCKXIUOX-MHWRWJLKSA-N 277.711 2.955 30 50 CFEA C=CCN1CC(=O)N(c2c(C)cc(C)cc2C)C1=O 225559262 VWCOPFCYOPTDFS-UHFFFAOYSA-N 258.321 2.566 30 50 CFEA CCC(CC)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 218893123 RTGNACSWIOZLAH-UHFFFAOYSA-N 290.216 2.981 30 50 CFEA CC1(C)[C@@H](N=c2ccc(C#N)c(N)[nH]2)[C@@H]1c1ccccc1 599122208 BYAFQEYNKLGUOA-GJZGRUSLSA-N 278.359 2.561 30 50 CFEA C=C(C)C(=O)OCCCCCCOC(=O)C(=C)C 2560616 SAPGBCWOQLHKKZ-UHFFFAOYSA-N 254.326 2.785 30 50 CFEA in-vitro CC[C@H](NCc1cc(C#N)ccc1F)c1ccn(C)n1 1875259814 SCHRBIVHMJNSPE-AWEZNQCLSA-N 272.327 2.672 30 50 CFEA CNc1oc([C@H]2C[C@@H]2c2ccc(F)cc2)nc1C#N 1775976795 UXKFATQMIYTUJM-MNOVXSKESA-N 257.268 2.998 30 50 CFEA C=CCC(=O)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 12056162 RNBBNJNVONLSKU-HNNXBMFYSA-N 292.810 2.997 30 50 CFEA CCN(CC)Cc1ccc(C(=O)O[C@H](C#N)C2CC2)cc1 225389242 OVLVTVZUKGPWTD-MRXNPFEDSA-N 286.375 2.987 30 50 CFEA C[Si](C)(C)CCOc1ccc([N+](=O)[O-])c(CC#N)n1 170155113 ZELXOZMZOFEIFO-UHFFFAOYSA-N 279.372 2.773 30 50 CFEA N#CC1(C(=O)N2CC[C@@H](Cc3ccncc3)C2)CCCCC1 374676168 GSZKGVXXTCZJPC-INIZCTEOSA-N 297.402 2.947 30 50 CFEA CC(C)(C#N)c1ccc(/C=C2/SC(=O)NC2=O)cc1 874929390 BMNTXMNLJRQPJD-YRNVUSSQSA-N 272.329 2.812 30 50 CFEA CC1(C)OB(c2ccccc2CN=[N+]=[N-])OC1(C)C 169745986 DWSJHXRRSHEEOE-UHFFFAOYSA-N 259.118 2.796 30 50 CFEA in-vitro C=CCC[C@H](NCc1cnn(C)c1C)[C@]1(C)CCCO1 1616040725 DBIDTJBTRMOVJT-HOTGVXAUSA-N 277.412 2.722 30 50 CFEA Cc1ccccc1/C(N)=N/OC(=O)c1cccs1 4309986 WNHVMJXGJPAPEP-UHFFFAOYSA-N 260.318 2.534 30 50 CFEA CC(C)c1ccc(OCC#CCN2CCOCC2)cc1 12383035 YOOGDJQRVIJFEH-UHFFFAOYSA-N 273.376 2.524 30 50 CFEA COc1ccc(C(=O)/C=C/Nc2ccccn2)cc1 12513202 NAEFYWMYNOBNRM-PKNBQFBNSA-N 254.289 2.899 30 50 CFEA N#C[C@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1 34657148 DBRNQEMYPUOCCJ-GFCCVEGCSA-N 271.147 2.890 30 50 CFEA in-vitro CC#CC(=O)N[C@H](C)c1nc2c(s1)CCCCC2 1875370533 SJUGBLUMNYGNQE-SNVBAGLBSA-N 262.378 2.613 30 50 CFEA C[C@@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CCS1 276962178 VTSRVRHZQCNPFL-SNVBAGLBSA-N 277.349 2.798 30 50 CFEA CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1CC1 211248483 OHWKOFVNGIXANI-UHFFFAOYSA-N 287.212 2.580 30 50 CFEA Cc1cc(C#N)nc(N[C@H](C)c2ccc(C#N)cc2)n1 231939641 VCWUHUPWQYBPDA-LLVKDONJSA-N 263.304 2.701 30 50 CFEA CCCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C=O 170007532 RDZZIMUWSHQXPH-UHFFFAOYSA-N 290.168 2.587 30 50 CFEA COC(=O)[C@@H]1CCN(c2cc(Cl)ccc2C#N)C[C@@H]1C 276901685 MITRNZCWZUTMEF-GXFFZTMASA-N 292.766 2.847 30 50 CFEA C[C@H]1CN(c2nc(C#N)c(Cl)s2)C[C@@H](C2CC2)O1 408522519 AQYUKUHEOJIJBH-XVKPBYJWSA-N 283.784 2.672 30 50 CFEA N#CCn1cnc2sc(-c3ccccc3)cc2c1=O 616261 RMYIOTOHVXSDJV-UHFFFAOYSA-N 267.313 2.649 30 50 CFEA CC(=O)c1ccc[n+](CC(=O)c2ccc(Cl)cc2)c1 5613559 HOMRXAPMVHARKZ-UHFFFAOYSA-N 274.727 2.713 30 50 CFEA CC[C@@H]1CCCCN1CCNc1cccc(C#N)n1 265505644 JECRGXSLAJCKMH-CQSZACIVSA-N 258.369 2.630 30 50 CFEA COc1ccc2c(c1)OC/C2=N/Nc1ccc(C(=O)O)cc1 1875262975 MERURADPXXJFJJ-JXAWBTAJSA-N 298.298 2.602 30 50 CFEA C(=N/N=c1[nH]ccnc1C1CCC1)\C1CCSCC1 2325756818 XZKLXDYFJJPQCZ-LICLKQGHSA-N 276.409 2.707 30 50 CFEA C=CCn1nnnc1NC/C=C/c1ccc(Cl)cc1 6856366 XLOXFOLTMOYHRR-ONEGZZNKSA-N 275.743 2.638 30 50 CFEA O=C1C(=CNCc2cccs2)C(=O)c2ccccc21 100380012 BXUFEYVIAGETEQ-UHFFFAOYSA-N 269.325 2.801 30 50 CFEA C=C(C)COc1cccc(CNC[C@@H](C)n2cncn2)c1 55153167 VDGHZUBHPFEXSW-CQSZACIVSA-N 286.379 2.584 30 50 CFEA COc1ccc2c(c1)CN(c1cc(C)ncc1C#N)CCO2 425271567 VISNSSAFZFVVMA-UHFFFAOYSA-N 295.342 2.669 30 50 CFEA CC[C@H](CC(F)(F)F)/N=C(/O)c1cnns1 330827953 SUIKNXDNWMBXJL-RXMQYKEDSA-N 253.249 2.574 30 50 CFEA C[C@H]1C[C@H](C)CN(CCCNc2ccc(C#N)nc2)C1 301540277 VGAQDACTVBFILO-KBPBESRZSA-N 272.396 2.733 30 50 CFEA CCN(CC)[C@H](C)CNc1nc2c(cc1C#N)CCC2 280543669 SOCPZYOGRVWVPB-GFCCVEGCSA-N 272.396 2.584 30 50 CFEA CC(C)n1ncc2[nH]c(-c3ccc(C#N)cc3)nc21 19939781 QHEPDVXAQDFEAS-UHFFFAOYSA-N 251.293 2.879 30 50 CFEA Cc1ccc(C)n1-c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 203680674 UWYAQNLLLBRAHQ-UHFFFAOYSA-N 298.195 2.788 30 50 CFEA C[C@H]1CC[C@H]2CNC(=NCC3CC4(C3)CC43CC3)N2C1 2325864109 HCFIKYRGLMEPAU-PEUXKQIOSA-N 273.424 2.626 30 50 CFEA C=CCNCCOCCOc1ccccc1CC=C 3003717 MXFYOJWGPMNCSQ-UHFFFAOYSA-N 261.365 2.586 30 50 CFEA C[C@@H]1C2=C([C@H]3C=C[C@H]2C3)[C@H](C)[C@@H]2C(=O)C=CC(=O)[C@H]12 104295375 HOXQAINAQSRQIE-SSAJBHFSSA-N 254.329 2.715 30 50 CFEA Cc1nnsc1C/N=C(/O)N1Cc2ccccc2[C@@H]1C 330273125 YSPDWCPUIXHBIQ-JTQLQIEISA-N 288.376 2.837 30 50 CFEA N#CCSCC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 241701777 QLAGZCDLQPMFKF-GXTWGEPZSA-N 292.379 2.835 30 50 CFEA CCC(CC)Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1 575442700 JVTFOUWCONUUAC-UHFFFAOYSA-N 278.205 2.619 30 50 CFEA CC1(C)OB(c2ccc(C#N)c(Cl)c2)OC1(C)C 169978568 ZOSROBSLLRBHDG-UHFFFAOYSA-N 263.533 2.511 30 50 CFEA in-vitro Cc1ccc(N2CC[C@@H](CNc3ccccn3)C2)nc1C#N 302663667 PMDBKJQQAHUXJL-AWEZNQCLSA-N 293.374 2.595 30 50 CFEA C=C[C@@H]1CCC[C@@H](NC(=O)/C=C/c2cc(C(=O)O)co2)C1 1875277341 GFCRKQMODSEZEO-BKVNPXPRSA-N 289.331 2.852 30 50 CFEA O=C([C@H]1CO1)N1CCc2ccc(-c3ccccc3)cc2C1 1875372738 LVDBOIFKXPPQLP-QGZVFWFLSA-N 279.339 2.637 30 50 CFEA CC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccccc1 550905 MSGDJSTXSMRDKG-HNNXBMFYSA-N 294.310 2.571 30 50 CFEA Cc1ccc(C#N)c(N2CC[C@H](c3ccccc3)[C@H](O)C2)n1 2356167690 YANOFHLNKHMXPY-IAGOWNOFSA-N 293.370 2.617 30 50 CFEA N/C(=N\OC(=O)Cc1cccs1)c1ccccc1Cl 4845085 YGDFBSLKZIIYMB-UHFFFAOYSA-N 294.763 2.808 30 50 CFEA C=C[C@@H]1OCC[C@H]1/N=C(/O)c1csc(CC(C)C)n1 331305777 GBNGWSUOCLJYKX-PWSUYJOCSA-N 280.393 2.990 30 50 CFEA Cc1nc(CCNC(=O)c2cccc(C#N)c2)sc1C 67489515 NHXLKEWRJIAOSZ-UHFFFAOYSA-N 285.372 2.604 30 50 CFEA N#Cc1ccccc1C(=O)N[C@@H]1COC2(CCCCC2)C1 218983060 NCCUFRDCJDEKJJ-AWEZNQCLSA-N 284.359 2.780 30 50 CFEA C[C@@H](C#N)CNC(=O)C(C)(C)COCc1ccccc1 240225363 DHLPQSKGVTYHLM-ZDUSSCGKSA-N 274.364 2.505 30 50 CFEA C=CC[C@@]1(C(=O)O)CCCN(Cc2ccc(C)o2)C1 91475945 IHEOREFNZTZMIM-OAHLLOKOSA-N 263.337 2.831 30 50 CFEA CC1(C)OCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2O1 219839399 OHDLCKAQTQQLFE-UHFFFAOYSA-N 290.168 2.631 30 50 CFEA CC(C)(C)OC(=O)NC[C@@H](C=O)CC1CCCC1 220920327 CHBSYVJKMFAEEX-LBPRGKRZSA-N 255.358 2.907 30 50 CFEA C=C[C@@H](C(=O)NC[C@H](C)Cn1ccnc1C)c1ccccc1 1329611213 SEPCAOKFECYDSL-WMLDXEAASA-N 297.402 2.914 30 50 CFEA Cc1cc[n+](CC(=O)OC23CC4CC(CC(C4)C2)C3)cc1 5006116 ILGOLLVFMWKEHT-UHFFFAOYSA-N 286.395 2.795 30 50 CFEA C=C(CN(Cc1cccc(F)c1)C1CCC1)C(=O)O 2325852196 WAIOSWCUMHKWHJ-UHFFFAOYSA-N 263.312 2.821 30 50 CFEA CC(C)OC(=O)[C@H](C#N)C(=O)C12CC3CC(CC(C3)C1)C2 4948205 BZAIBOFRCNPSFD-DLUQRMLASA-N 289.375 2.863 30 50 CFEA CC(C)(C#N)CCN1CCO[C@H](c2cccc(C#N)c2)C1 345972432 MUHIGAXZXJDYES-INIZCTEOSA-N 283.375 2.871 30 50 CFEA CCSc1cccnc1C(=O)N[C@@H](CC)CC#N 450621749 IXNSKLWSWYSKQJ-JTQLQIEISA-N 263.366 2.616 30 50 CFEA C=C[C@@]12CC[C@@H]([C@@H](OCOC)[C@]1(O)C(=C)C)C2(C)C 71786730 KEFWBDFAWUENEW-LQKXBSAESA-N 266.381 2.905 30 50 CFEA C[C@@H]1C[C@H](CN2CCC(C#N)(c3ccccn3)CC2)CCO1 548791958 ZNITUJDVWZBBPT-HZPDHXFCSA-N 299.418 2.754 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1C[C@H](CO)Cc2cccc(F)c21 585126589 CIKJZCKKEDHAIK-QWHCGFSZSA-N 291.366 2.926 30 50 CFEA N#Cc1ccccc1NC1CCN(C(=O)OCCF)CC1 874435079 KYQKCXOCUWQIOG-UHFFFAOYSA-N 291.326 2.541 30 50 CFEA CCc1cccnc1N=C(O)c1cn(C(C)(C)C)nn1 331161834 KWRUZJWYCYBQAF-UHFFFAOYSA-N 273.340 2.627 30 50 CFEA C=C(C)COCCNC(=O)[C@@H]1C[C@H]1c1ccc(C)cc1 424724939 GEZRTYLOZTVMNO-JKSUJKDBSA-N 273.376 2.807 30 50 CFEA C=C/C(O)=N/Cc1ccc(Cn2ccccc2=O)cc1 328594382 GRUATHIOWQMDHR-UHFFFAOYSA-N 268.316 2.539 30 50 CFEA C[C@H]1CC[C@@H](C)N1CC(O)=Nc1c[nH]nc1-c1ccccn1 329155929 BUUCWYKBHRDVJF-TXEJJXNPSA-N 299.378 2.933 30 50 CFEA C[C@]12C[C@@H]3O[C@]34[C@H](CCC3=CC(=O)C=C[C@@]34C)[C@H]1CCC2=O 257356132 GCLIXCGWTLQNCF-DDAMIAJUSA-N 298.382 2.995 30 50 CFEA O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(O)ccc21 2160762 VDONNSGYFLFOCD-UUASQNMZSA-N 282.251 2.737 30 50 CFEA biogenic N#Cc1cc(Br)cc(C(F)(F)F)c1N 15443868 QMUIRDSEOUGZIP-UHFFFAOYSA-N 265.032 2.922 30 50 CFEA C#CCOc1ccc(Br)cc1/C=C/[N+](=O)[O-] 2821498 VUGQFEDOEIUWEG-AATRIKPKSA-N 282.093 2.709 30 50 CFEA O=C(/C=C/c1ccco1)c1ccc2c(c1)OCCO2 4122312 JQOHIWYSRXRXEL-SNAWJCMRSA-N 256.257 2.947 30 50 CFEA C[C@@H](CO)N(Cc1ccccc1C#N)C1CCCC1 225570470 HKRWTKXFBJEPPQ-ZDUSSCGKSA-N 258.365 2.684 30 50 CFEA CC1(C)OB(c2cnc(F)c(C(F)(F)F)c2)OC1(C)C 307738945 XUEWHDZTSUZPCG-UHFFFAOYSA-N 291.053 2.539 30 50 CFEA O=C(O)c1ccc(N/C=C/C(=O)c2ccccc2O)cc1 71772505 CVCXVILFTAMXBE-MDZDMXLPSA-N 283.283 2.899 30 50 CFEA Cc1nn(-c2ccc(Cl)cc2Cl)c(N)c1C#N 38537039 MYZXVPWAKMKNPD-UHFFFAOYSA-N 267.119 2.941 30 50 CFEA Cc1cc(C)c(S(=O)(=O)NN=C2CCCC2)c(C)c1 85483155 NPLJOTIKSYABKT-UHFFFAOYSA-N 280.393 2.820 30 50 CFEA CCC#CCN1CCC(CNC(=O)[C@@H]2C[C@@H]2CCC)CC1 952985801 DJZVJYGMFKOOFB-DLBZAZTESA-N 290.451 2.664 30 50 CFEA C=C[C@H](C)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 167458523 RDWFZORAHQFFHB-STQMWFEESA-N 268.401 2.940 30 50 CFEA Cc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c(O)c1 277791590 FVOPZKPMXRTQJK-CQSZACIVSA-N 272.348 2.855 30 50 CFEA Cc1csc(C(=O)N[C@H](C#N)C2CC2)c1Br 191467991 HCFGYJQISAKJNF-MRVPVSSYSA-N 299.193 2.851 30 50 CFEA N#CCn1c(C(=O)N2CC[C@H]3C[C@H]3C2)cc2ccccc21 598331179 PRMKXNCODACEQG-JSGCOSHPSA-N 279.343 2.647 30 50 CFEA N#Cc1ccc(N2CCC[C@H](CC(N)=O)CC2)cc1Cl 585783825 KCWCHCLOGAHDHU-NSHDSACASA-N 291.782 2.694 30 50 CFEA C=C[C@](C)(O)c1cn(Cc2ccc(Cl)cc2C)nn1 900607435 KEIGUNGUTDXTBV-AWEZNQCLSA-N 277.755 2.682 30 50 CFEA N#Cc1cn[nH]c1NCc1cc(Cl)cc(Cl)c1O 1432628 KRHSRCAPAXLQTN-UHFFFAOYSA-N 283.118 2.906 30 50 CFEA C#C[C@@H](C)N(CC)Cc1nc(O)c2ccc(Cl)cc2n1 2325803683 VFMIYMOHVKBAOJ-SNVBAGLBSA-N 289.766 2.832 30 50 CFEA Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1 1430789 HYDLUQYZRAXGTL-GFCCVEGCSA-N 255.317 2.606 30 50 CFEA C=CC[C@]1(C(=O)O)CCCN(C(=O)c2ccc(Cl)o2)C1 91690900 PGSAQOLAODSRFH-AWEZNQCLSA-N 297.738 2.816 30 50 CFEA CC(C)(C)C[C@H](Nc1ncc(C#N)c(N)n1)c1cccnc1 1506426685 UPSVFLROSGBHIT-ZDUSSCGKSA-N 296.378 2.915 30 50 CFEA C[C@@H]1SCCn2c(-c3cccc(C#N)c3)nnc21 1857707469 UIIZYRPUAMRKSC-VIFPVBQESA-N 256.334 2.625 30 50 CFEA O=C(/C=C\Nc1ccccn1)c1ccc2c(c1)OCO2 13381914 VQNGVPLBHSGBKM-VURMDHGXSA-N 268.272 2.619 30 50 CFEA CC[C@@H](CC#N)NC(=O)CCN1CCCc2ccccc21 1775997318 ARIONAGUZQEYIX-HNNXBMFYSA-N 285.391 2.638 30 50 CFEA N#Cc1nc(-c2ccc(F)cc2)oc1NC[C@H]1CCCO1 468347 ZYYWHZNJZKEIOQ-GFCCVEGCSA-N 287.294 2.943 30 50 CFEA C=CCOc1ccccc1CNCc1cccnc1 2178091 SKWFIVDKCGJFQZ-UHFFFAOYSA-N 254.333 2.936 30 50 CFEA CC(C)Cc1n[nH]c(-c2cccc(C#CC(C)(C)O)c2)n1 65398560 NKGFAJWWGWTULS-UHFFFAOYSA-N 283.375 2.793 30 50 CFEA N#Cc1ccc(N2CCCC2)c(Br)c1 95081207 MEROEMNZRARNEP-UHFFFAOYSA-N 251.127 2.921 30 50 CFEA Cc1nc(CC/N=C(/O)C[C@@H]2CCOC2)sc1C 330066427 SWDRKBBPWHQTBJ-NSHDSACASA-N 268.382 2.686 30 50 CFEA N#Cc1cccc(NC(=O)N2CCSC[C@H]2C2CC2)c1 585118997 MDGBDZAZFLFSAZ-AWEZNQCLSA-N 287.388 2.918 30 50 CFEA O=[N+]([O-])c1cc2c(cc1/C=N/c1ccccc1O)OCO2 3080640 SFAYXCJEONLIHI-VIZOYTHASA-N 286.243 2.780 30 50 CFEA CN1CCC[C@@H]1C(O)=Nc1ccc2nnc(C3CCC3)n2c1 330325898 UWJLTGSOMZQKQP-CYBMUJFWSA-N 299.378 2.679 30 50 CFEA Cn1cc([C@H](Nc2ccc(C#N)nc2)C(C)(C)C)cn1 591821677 RWLQJPHRLXDUDR-AWEZNQCLSA-N 269.352 2.886 30 50 CFEA N#Cc1ccc(-c2cn(-c3cnccc3Cl)nn2)cc1F 2325818319 ZCQNGTDPRAEOEE-UHFFFAOYSA-N 299.696 2.993 30 50 CFEA C=C/C(O)=N/[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O 328599932 UMWDPPJNYNPAFM-RISCZKNCSA-N 281.377 2.612 30 50 CFEA CCc1cc(C#N)c(NC(=O)[C@@H](OC)C2CC2)s1 331893382 MMZFZARCUOEOQH-NSHDSACASA-N 264.350 2.546 30 50 CFEA Cc1ccnc(NC[C@@H]2CCN(Cc3ccc(C#N)o3)C2)c1 371371186 ASYMMQCGLYDMIG-AWEZNQCLSA-N 296.374 2.789 30 50 CFEA N#Cc1c(Br)cc(C(F)F)cc1C(=O)O 263622696 ABAIOMWEPGKEHN-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA CC(C)c1ccc(C#N)c(N(C)CC(C)(C)CO)n1 670451728 RHEDCFPWSCTTKH-UHFFFAOYSA-N 261.369 2.531 30 50 CFEA CC(C)(C)OC(=O)N1CCN(c2ccccc2C#N)CC1 77031470 OLDBLJCXZXMUEO-UHFFFAOYSA-N 287.363 2.615 30 50 CFEA in-vitro C=C(C)[C@@H](NC(=O)N[C@H](CC)CO)c1ccc(F)c(F)c1 185452816 ANSCLGLKFQLWEA-BXUZGUMPSA-N 298.333 2.652 30 50 CFEA C=CCN(Cc1ccsc1)C(=O)CCOCC 1506419765 WPNVURYBBGSFRN-UHFFFAOYSA-N 253.367 2.689 30 50 CFEA N#Cc1ccc(C(=O)N2CCC(OC3CCC3)CC2)s1 333094708 BNDXEKJWLXPJIM-UHFFFAOYSA-N 290.388 2.793 30 50 CFEA C#CCCC1(CCC(=O)N[C@@H](C=C)c2cscn2)N=N1 1875382244 VSHFGZPSIGFVQA-NSHDSACASA-N 288.376 2.842 30 50 CFEA CCOC(=O)[C@@H]1[C@H](CC)[C@H]1B1OC(C)(C)C(C)(C)O1 1857779074 LZGOECFGEDSLSK-HBNTYKKESA-N 268.162 2.668 30 50 CFEA C=CC1CC(NCCn2c(C)nc3ccccc32)C1 1875279597 KDBULEYKUIDRRS-UHFFFAOYSA-N 255.365 2.899 30 50 CFEA C=CC(=O)N[C@@H](C#N)c1ccc(C(F)(F)F)cc1 1776003550 XAONFAVTGQFDCY-JTQLQIEISA-N 254.211 2.572 30 50 CFEA Cc1sc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C#N)c1C 100775894 YNJUGKHCEOIJOA-XRRVDJEJSA-N 298.367 2.548 30 50 CFEA O=C(C#Cc1ccccc1)N1C(=O)OC[C@@H]1c1ccccc1 407975 ANYUSVIHBAUJBE-MRXNPFEDSA-N 291.306 2.758 30 50 CFEA C=CCc1ccccc1OC[C@@H](O)CNC1CCCC1 2701423 DDRWZNIIZPLDMD-INIZCTEOSA-N 275.392 2.687 30 50 CFEA C=CCc1ccc(OCCn2ccnc2)c(OC)c1 4385930 FHYUMAFDQQWSSY-UHFFFAOYSA-N 258.321 2.699 30 50 CFEA Cc1cc(C)c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 4955417 FCZGZRIETGFOIR-VOTSOKGWSA-N 298.298 2.796 30 50 CFEA O=C(/C=C/c1ccccn1)c1cc([N+](=O)[O-])ccc1O 49574138 WOWYCTBRSINJDW-GQCTYLIASA-N 270.244 2.592 30 50 CFEA Cc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1 170164474 MYFCHWHWPZSMRP-UHFFFAOYSA-N 269.153 2.842 30 50 CFEA in-vitro C=CCCN1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 585092220 KBTSEOVUZOVRJL-UHFFFAOYSA-N 290.367 2.751 30 50 CFEA N#Cc1ccc(-c2nccn2C2CCOCC2)cc1 1857733707 VMUDMTBMGRVCQD-UHFFFAOYSA-N 253.305 2.773 30 50 CFEA CN([C@@H]1CCC[C@@H]1C(C)(C)C)S(=O)(=O)CC1(C#N)CC1 332000532 ZYIBIRTYDAGMEN-QWHCGFSZSA-N 298.452 2.767 30 50 CFEA CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc(O)cc1 13563318 ZUQORWBPKGLPGA-SDXDJHTJSA-N 294.314 2.583 30 50 CFEA C=C(C)CNC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 156781268 UKDIGMCZCDZERX-ZDUSSCGKSA-N 284.363 2.809 30 50 CFEA CC1(C)OB(c2ccc3ccc(CO)cc3c2)OC1(C)C 958682455 XJCHGPAZOHVBDW-UHFFFAOYSA-N 284.164 2.631 30 50 CFEA C#CC(C)(C)N1CC[C@](O)(c2ccccc2)[C@H](C)C1 36023024 VLPZXHXIPQDJKJ-RHSMWYFYSA-N 257.377 2.628 30 50 CFEA N#CCN1C(=O)c2ccccc2CCc2ccccc21 2519835 HQOYURRQCRYKGE-UHFFFAOYSA-N 262.312 2.956 30 50 CFEA CC(C)n1nccc1[C@H]1OCC[C@@H]1Nc1cccc(C#N)n1 284486113 GYZTXNXALQWCHP-BBRMVZONSA-N 297.362 2.673 30 50 CFEA C=C[C@@]1(O)C[C@@H]2[C@H]3[C@H]4[C@H]5[C@@H](CC[C@H]5[C@@H]5[C@@H]4[C@@H]2C[C@@]5(O)C=C)[C@H]31 253607812 HHDXNQYASCNGKB-DLHDIYTPSA-N 298.426 2.625 30 50 CFEA CC(=O)C1=Cc2ccc(Br)cc2OC1 675081817 NQHIQSZJZDEJQM-UHFFFAOYSA-N 253.095 2.814 30 50 CFEA Cc1cc(C)c(C#N)c(NCCCc2csc(N)n2)n1 1506426949 JXDUZNNEEQHLIB-UHFFFAOYSA-N 287.392 2.654 30 50 CFEA C=C(C)CNC(=O)Nc1cnn(CC(C)C)c1CC 157676905 XPXYQBWRRXOTKK-UHFFFAOYSA-N 264.373 2.799 30 50 CFEA C=CCCC(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857676178 DIEVIIUPJNWEBY-SCTDSRPQSA-N 299.414 2.937 30 50 CFEA Cc1nc([C@H]2CCCCN2Cc2ccc(C#N)c(F)c2)n[nH]1 408473302 BTCSBMBIAMFBSP-OAHLLOKOSA-N 299.353 2.851 30 50 CFEA C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]32)N=N1 952880443 BEUOCEPISKIDKN-OLZOCXBDSA-N 259.353 2.743 30 50 CFEA CCCSCCNC(=O)Nc1ccc(C#N)cc1 299760353 FTBIHIWEHNEICJ-UHFFFAOYSA-N 263.366 2.823 30 50 CFEA C[C@](O)(CNC1CCC(C#N)(c2ccccn2)CC1)C1CC1 2325777999 VYOPJDLBTVPICM-NXYGQSRBSA-N 299.418 2.536 30 50 CFEA Cc1cc(-n2ccnc2)n2c(nc3ccccc32)c1C#N 135245 GUEJHFQPWUESTQ-UHFFFAOYSA-N 273.299 2.853 30 50 CFEA Cc1ccc(-c2nn(CCC#N)cc2C(=O)O)cc1C 3410584 KROXHSATNMOIDD-UHFFFAOYSA-N 269.304 2.779 30 50 CFEA N#Cc1ccnc(N2CCC=C(c3ccncc3)C2)c1 343922324 UCIYEZVQRVOSDH-UHFFFAOYSA-N 262.316 2.642 30 50 CFEA [O]N(C(F)(F)F)C(F)(F)C(F)(F)N([O])C(F)(F)F 100308760 DODHNLSDGIUFMM-UHFFFAOYSA-N 298.036 2.507 30 50 CFEA OCC#Cc1csc(CNc2ccc3nccnc3c2)c1 20913210 QLXUWDFHKMCNEH-UHFFFAOYSA-N 295.367 2.647 30 50 CFEA COC(=O)c1ccc(CB2OC(C)(C)C(C)(C)O2)cc1 170002811 QMZVNHRBNWDLTE-UHFFFAOYSA-N 276.141 2.647 30 50 CFEA C#CCN(Cc1ccc(F)cc1)C(=O)C1CC=CC1 119708385 JKHZIWCXRAKVAS-UHFFFAOYSA-N 257.308 2.754 30 50 CFEA C[C@H](NCCOc1cccc(C#N)c1)c1ccccn1 181780596 GPYDFCSNWXAPHF-ZDUSSCGKSA-N 267.332 2.683 30 50 CFEA Cc1nn([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1C#N 408230797 IZRZMLBMHDTWIG-FMVNMVDZSA-N 288.395 2.565 30 50 CFEA CN(C)c1nccc(NCc2ccccc2)c1C#N 4729982 YJCNBLROEVIDMD-UHFFFAOYSA-N 252.321 2.631 30 50 CFEA C=CCN(CC=C)C(=O)Nc1ccc([N+](=O)[O-])cc1 4776643 GAKMQYIEYOONLD-UHFFFAOYSA-N 261.281 2.801 30 50 CFEA C=C[C@](C)(CC)C(=O)N1CCC[C@@H](N2CCCC2=O)CC1 412835856 GEVNOCOUMNPJIC-RHSMWYFYSA-N 292.423 2.592 30 50 CFEA N#Cc1ccc(NC(=O)NCC(F)(F)F)cc1Cl 132060513 VGSQMMAFBZUWCB-UHFFFAOYSA-N 277.633 2.895 30 50 CFEA Sc1nnc(C2CCCCC2)n1N=Cc1ccncc1 244748674 OMFCAACFAWWMLF-UHFFFAOYSA-N 287.392 2.892 30 50 CFEA CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1ccc(C#N)cc1 184805497 MOCIOAXMFHXOKX-HZPDHXFCSA-N 286.375 2.882 30 50 CFEA N#Cc1cccnc1NCc1n[nH]c2c1CCCCC2 952867972 VSOWCUWVJQTMNJ-UHFFFAOYSA-N 267.336 2.557 30 50 CFEA N#Cc1ccc(S[C@H]2CCCCNC2=O)c(Cl)c1 154163179 VNSPWMZOBRIWQV-LBPRGKRZSA-N 280.780 2.972 30 50 CFEA Cc1ccc(S(=O)(=O)Oc2ccc(C#N)cc2)cc1 16090030 DYKBJPFZEPCFRA-UHFFFAOYSA-N 273.313 2.634 30 50 CFEA O=C1Nc2ccccc2/C1=C1/Nc2ccccc2C1=O 18825333 CRDNMYFJWFXOCH-YPKPFQOOSA-N 262.268 2.658 30 50 CFEA aggregator,biogenic,in-vitro CC(O)=Nc1ccn([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 328613449 RZYCCDIPSHZICE-CQSZACIVSA-N 298.346 2.578 30 50 CFEA C=C(C)[C@H]1Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C1 507712 SKSMAIWXKKFOMN-ZDUSSCGKSA-N 268.364 2.878 30 50 CFEA C=CCN(Cc1ccccc1OC)C(=O)c1cc(C)n[nH]1 55244937 PPOOFVVWYOZSGK-UHFFFAOYSA-N 285.347 2.555 30 50 CFEA COc1cc(O)ccc1-c1c(C#N)c(N)nc2c1CCCC2 67673180 HVVCSQBFRFYGGL-UHFFFAOYSA-N 295.342 2.795 30 50 CFEA Cc1nsc(N[C@H]2C[C@@H](C)n3ccnc32)c1C#N 333759918 ZMXDSGIJTHZHAZ-XCBNKYQSSA-N 259.338 2.638 30 50 CFEA CC(C)(C)n1cc(/C=C/C(=O)c2cnn3ccccc23)nn1 585136143 SOPQYKNBATZCLN-BQYQJAHWSA-N 295.346 2.577 30 50 CFEA Cc1nnc(N2CCC[C@@H](c3ccncc3)C2)c(C#N)c1C 596254219 OHMBRDBOHRGJES-OAHLLOKOSA-N 293.374 2.744 30 50 CFEA Oc1ccccc1/C=N/N1CCN(c2ccccc2)CC1 136490 COUGRZCODVFOPO-NBVRZTHBSA-N 281.359 2.548 30 50 CFEA N#Cc1nc(Cc2ccccc2)oc1N1CCCC1 352173 VKZZANQJWKLEOS-UHFFFAOYSA-N 253.305 2.737 30 50 CFEA CC(C)=NNc1nc2sc3c(c2c(=O)[nH]1)CCCC3 434955 UEVBNWLEQRJROV-UHFFFAOYSA-N 276.365 2.671 30 50 CFEA C=CC[C@@H]1C=CC[C@@H](CC=C)N1C(=O)c1ncc[nH]1 67675653 YNFKZYHDEFRQBS-CHWSQXEVSA-N 257.337 2.701 30 50 CFEA CN(C)c1ccnc(NCc2ccccc2)c1C#N 36006145 LIBRLWTYZXTCEB-UHFFFAOYSA-N 252.321 2.631 30 50 CFEA O=C1C=CC(=C2C=CN(CC(=O)c3ccccc3)C=N2)C=C1 221621505 NSRMXPABQZMYET-UHFFFAOYSA-N 290.322 2.676 30 50 CFEA C=C(C)CN1CCC(NC(=O)Nc2cccc(C)n2)CC1 181845670 ONEUTZOJYQHDBL-UHFFFAOYSA-N 288.395 2.552 30 50 CFEA CCOC(=O)c1cc(F)cc(C#N)c1Br 263623399 HCPLIAJMYNALPO-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA CC1(C)CCCN(C(=O)c2cc(F)ccc2O)[C@@H]1C#N 277617961 VYQAKTPYRPHSQJ-CYBMUJFWSA-N 276.311 2.686 30 50 CFEA C=C(C)CN(Cc1ccccc1)C(=O)C1CCN(C)CC1 280267426 ZLGBEKYJNPPDSA-UHFFFAOYSA-N 286.419 2.933 30 50 CFEA N/C(=N\OC(=O)CCC1CCCC1)c1ccccc1 5013539 JPBPZIJXUXANRK-UHFFFAOYSA-N 260.337 2.821 30 50 CFEA Cc1ccc2c(B3OC(C)(C)C(C)(C)O3)cccc2n1 203547867 VYJMNRHPDWSKAJ-UHFFFAOYSA-N 269.153 2.842 30 50 CFEA COc1cc(C#N)ccc1CN1CCC[C@@H]1C1CC1 378361154 DQCOGVFTYHYYAI-OAHLLOKOSA-N 256.349 2.941 30 50 CFEA COC(=O)c1cc(C)nc(N[C@@H](CC#N)c2ccccc2)n1 2325724060 NTEKIUVIDQBING-ZDUSSCGKSA-N 296.330 2.639 30 50 CFEA N#C[C@@H](C(=O)NCc1cccs1)c1ccccc1 618742 FISVQUBFFBQHRO-CYBMUJFWSA-N 256.330 2.672 30 50 CFEA O/N=C1\CCCc2sc3c(c21)/C(=N/O)CCC3 4977283 DJEVIVUDBCMOIZ-FNCQTZNRSA-N 250.323 2.777 30 50 CFEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NCc1cc(C)n[nH]1)C2 102593881 FLVLGKLEJQAQKI-BLLLJJGKSA-N 273.380 2.717 30 50 CFEA CCN(CC)Cc1ccc(C(=O)O[C@@H](C#N)C2CC2)cc1 225389289 OVLVTVZUKGPWTD-INIZCTEOSA-N 286.375 2.987 30 50 CFEA Cn1c(/C=N/Nc2nc3ccccc3[nH]2)nc2ccccc21 100528252 SEZWJJJSIXKMJH-LICLKQGHSA-N 290.330 2.896 30 50 CFEA O=[N+]([O-])c1ccc(O)c(/C=N\Cc2nc3ccccc3[nH]2)c1 104212248 XYLSBUKTXGOQAT-PXNMLYILSA-N 296.286 2.796 30 50 CFEA CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C[N+](C)(C)C 25626218 ILQRAXINCJFNAQ-MJBXVCDLSA-N 256.410 2.697 30 50 CFEA CCCCOc1ccc(/C=N/N2CCOCC2)cc1 3627275 YVCJSDMPYYZXCB-DTQAZKPQSA-N 262.353 2.532 30 50 CFEA CC1(C)OB(CC(=O)c2cccc(O)c2)OC1(C)C 170008002 OJGDXELXLFMAEA-UHFFFAOYSA-N 262.114 2.667 30 50 CFEA C[C@H]1[C@@H](/N=C(/O)C2(C)CCCCCC2)CCS1(=O)=O 329235205 ILAAGBNYCZPMGA-RYUDHWBXSA-N 287.425 2.879 30 50 CFEA CC(C)(C)OC(=O)N[C@H](CC=O)c1ccsc1 146825018 LYCISWYLBBYIRM-SNVBAGLBSA-N 255.339 2.903 30 50 CFEA CC[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 277210890 KIUBWJGFLVRDEY-CVEARBPZSA-N 286.375 2.722 30 50 CFEA Cn1cc(/C=C/c2ccncn2)c(-c2ccc(C#N)cc2)n1 170592861 QEZZCRUIBPXYNV-VOTSOKGWSA-N 287.326 2.919 30 50 CFEA N#Cc1nccnc1NCC12CC3CC(CC(C3)C1)C2 170618508 IAQTWLFGFLTQQW-UHFFFAOYSA-N 268.364 2.977 30 50 CFEA N#Cc1nc(N2CC[C@@H](c3ccncc3)C2)ccc1Cl 599101206 MWJDIUFYDFMECM-GFCCVEGCSA-N 284.750 2.996 30 50 CFEA C[C@@H](C1CC1)n1cc(N=C(O)N2CCCSCC2)cn1 328595814 FHRSHDKRNVHEGB-NSHDSACASA-N 294.424 2.839 30 50 CFEA Fc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1 13112080 XQWPPFJWBZMAGP-XSFVSMFZSA-N 297.377 2.977 30 50 CFEA CCCCn1c(N)c(C#N)c2nc3ccccc3nc21 1940172 OLICCRYPRZAUNK-UHFFFAOYSA-N 265.320 2.838 30 50 CFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1 4719763 NKQHEMPXJALPAD-INIZCTEOSA-N 297.354 2.828 30 50 CFEA CCO[C@@H](C)c1ccc(-c2ncc(C#N)c(N)n2)cc1 1506417663 KMRFLAKWPZWULF-JTQLQIEISA-N 268.320 2.695 30 50 CFEA C[C@H]1CC[C@H](C)N1CC(O)=Nc1c[nH]nc1-c1ccccn1 329155926 BUUCWYKBHRDVJF-RYUDHWBXSA-N 299.378 2.933 30 50 CFEA C=CCCC(=O)N1CCN[C@@H](c2cccc(Cl)c2)C1 366925418 LLYRXQMYAQOOFM-CQSZACIVSA-N 278.783 2.779 30 50 CFEA Cc1cc(C#N)ccc1C(=O)N1CC[C@H](OCC(C)C)C1 130079166 WWTBIZLWPLTSOK-HNNXBMFYSA-N 286.375 2.754 30 50 CFEA O=C(/C=C/c1ccnn1CC1CC1)c1cccc2c1OCO2 585135819 DEZOKYPNZUIGCC-VOTSOKGWSA-N 296.326 2.918 30 50 CFEA COC[C@@](C)(C#N)NC(=O)c1cc(C)c(Cl)cc1C 279989408 RKIHTAUTKHZARW-CQSZACIVSA-N 280.755 2.615 30 50 CFEA COc1cccc(/C=N/N2CCN(c3ccccc3)CC2)c1 445778 HHHMIFVXFLMUMP-XDJHFCHBSA-N 295.386 2.851 30 50 CFEA C=CC[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)NC1=O 16661243 MBXWXHPLDPNCAD-OXFWXOROSA-N 293.779 2.838 30 50 CFEA CCN(Cc1cnn(C)c1)c1c(C#N)cnc2ccccc12 225593900 MAYNTKYRBNRZNY-UHFFFAOYSA-N 291.358 2.866 30 50 CFEA Cc1ccnc(NC[C@@H]2CCCO[C@H]2c2cc[nH]n2)c1C#N 591635345 HVBWVQNEPNCQMR-SWLSCSKDSA-N 297.362 2.565 30 50 CFEA C[C@H]1CN=C(N/N=C/c2cc(-c3ccccc3)cs2)N1 1875258212 YJDYOJLUAUWCFG-DTQASYIRSA-N 284.388 2.686 30 50 CFEA N#Cc1c(NC(=O)C(F)(F)F)sc2c1CCCC2 134070 KNFKXDQQCGJWBQ-UHFFFAOYSA-N 274.267 2.999 30 50 CFEA CC(C)(C#N)c1ccc(-c2ccc(-c3n[nH]c(=N)[nH]3)o2)cc1 2356145980 ZLTSCCHDOXZEKO-UHFFFAOYSA-N 293.330 2.945 30 50 CFEA O=C(/C=C/c1ccc(O)cc1)C1C(=O)c2ccccc2C1=O 100334285 SDXDCUGDCIFTRG-JXMROGBWSA-N 292.290 2.670 30 50 CFEA O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccncc1 25665648 JXHPGPGVSWYSSS-SNAWJCMRSA-N 254.245 2.886 30 50 CFEA C[C@@H](C#N)CNC[C@@H]1CCCCN1C(=O)OC(C)(C)C 235464177 VWDJVKAVRGYWSR-STQMWFEESA-N 281.400 2.525 30 50 CFEA O=C1c2ccccc2C(=O)N1/N=C/c1ccc(Cl)cc1 160738 QLRRDDPNPITBKN-RQZCQDPDSA-N 284.702 2.970 30 50 CFEA CC#CC(=O)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 844008282 FTZORTVYDDJWCE-QWHCGFSZSA-N 281.359 2.729 30 50 CFEA N#Cc1cccnc1N1CCCC[C@@H]([C@H]2CCOC2)C1 897567447 BRMBDFVHQIIBDX-CABCVRRESA-N 271.364 2.596 30 50 CFEA C=CCN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 55070005 ALITUWPKUARGSR-UHFFFAOYSA-N 286.419 2.928 30 50 CFEA CC[C@@](C)(C#N)C(=O)N1CC(C)(c2ccccc2F)C1 376006981 GBBIRMZXYHKDDL-HNNXBMFYSA-N 274.339 2.865 30 50 CFEA Nc1ccc(/C=C2\COc3ccccc3C2=O)cc1 43761372 KHKFPXNSDIXZPI-FMIVXFBMSA-N 251.285 2.928 30 50 CFEA CN(C)C(=O)Cc1ccc(-c2cccc(C#N)c2)cc1 96151044 QYJKEUUGUSGBGS-UHFFFAOYSA-N 264.328 2.856 30 50 CFEA Cc1nnc(C)n1/N=C\c1ccc(C(F)(F)F)cc1 5091102 KOFISCRSDVOSKS-APSNUPSMSA-N 268.242 2.796 30 50 CFEA Cc1nnc(C)n1/N=C\c1cccc(Br)c1 5034134 XKWDLZGEAMOYRG-QPEQYQDCSA-N 279.141 2.540 30 50 CFEA C#CCCC1(CCC(=O)N2CCCC[C@H](F)C2)N=N1 952881203 LMMODMVCEKOLMK-LBPRGKRZSA-N 265.332 2.693 30 50 CFEA CC(C)(O)C#Cc1ccc(C(=O)NC2CCCCC2)cc1 621469 IUPCVTWUZBZHSC-UHFFFAOYSA-N 285.387 2.872 30 50 CFEA COc1ccccc1NC(=O)C#Cc1ccccc1 6726800 BTQSVEKLXTYEJO-UHFFFAOYSA-N 251.285 2.685 30 50 CFEA O=C(O)[C@@](F)(N(C(F)(F)F)C(F)(F)F)C(F)(F)F 100912135 DTRWLFVXPPXISV-UWTATZPHSA-N 297.048 2.641 30 50 CFEA CN(CC#N)C(=O)c1ccccc1COc1ccccc1 337556233 WUIRGNRZVBEXCH-UHFFFAOYSA-N 280.327 2.861 30 50 CFEA C[C@@H]1CCC[C@@H]1N/C(O)=N/[C@@H]1CCO[C@@]2(CCSC2)C1 328778341 IOSXZQBBEJPNCL-CXTNEJHOSA-N 298.452 2.733 30 50 CFEA Cc1cccc(C(=O)n2nc(C#N)c3ccccc32)c1 96273852 KRFSMLDUZFVINX-UHFFFAOYSA-N 261.284 2.905 30 50 CFEA in-vitro C#CCN1CC[C@](OC(=O)CC)(c2ccccc2)[C@H]1C 96026942 KLGHDMOBCKWGTK-RHSMWYFYSA-N 271.360 2.563 30 50 CFEA O=C1C=CC(=O)[C@@H]2[C@@H]1[C@H]1C3=C([C@H]4CC[C@H]3C4)[C@H]2C12CC2 257358956 XNEFJUNJLZTNMN-OUUWEKTMSA-N 266.340 2.693 30 50 CFEA Cc1ccc(S(=O)(=O)/N=C/c2ccc(F)cc2)cc1 244012 WEXIEXWVOUQDHD-MHWRWJLKSA-N 277.320 2.942 30 50 CFEA C#CCCC1(CCC(=O)N(C)Cc2ccoc2)N=N1 952882756 OTUYYTRBJZLJTJ-UHFFFAOYSA-N 259.309 2.594 30 50 CFEA O=C1C=C[C@]2(S(=O)(=O)c3ccccc3)CCC[C@@H]2C1 71786248 UADBTLMCYKJUJR-IUODEOHRSA-N 276.357 2.528 30 50 CFEA CC[C@H]1CCN(/C(O)=N/CCc2cccc(C#N)c2)C1 330938034 BIZVBRLUQJSHAK-ZDUSSCGKSA-N 271.364 2.747 30 50 CFEA C=CCOc1ccccc1/C=C1/SC(=S)NC1=O 2688968 YKKMFKQWHIAXEG-DHZHZOJOSA-N 277.370 2.740 30 50 CFEA CC#CC(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 801193449 JKPCNGUESGFDSF-QGZVFWFLSA-N 279.339 2.527 30 50 CFEA C=CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC(C)=NO1 55131255 OOLOTEPHBHOVFY-AWEZNQCLSA-N 276.311 2.505 30 50 CFEA O=C1NC2=C(C(=O)c3ccccc32)[C@@H](c2ccccc2)N1 103439 ISEKSXKHQRZFJA-CQSZACIVSA-N 276.295 2.648 30 50 CFEA aggregator,biogenic C=CCCCNC(=O)[C@H]1CCC(=O)c2ccccc21 285148198 YOKFYVMDSDLTJK-AWEZNQCLSA-N 257.333 2.829 30 50 CFEA C[C@@H](Oc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C 133941522 ZZVXWQVPLDTRAY-SECBINFHSA-N 265.284 2.806 30 50 CFEA CC[C@H](c1ccccn1)N(C)C(=O)c1cc(C#N)cn1C 952970558 KWKWGNZUNNQKHN-CQSZACIVSA-N 282.347 2.515 30 50 CFEA CC1(C)OB(c2c(F)cccc2OCC2CC2)OC1(C)C 169822426 NMJRKFWGMZDOPA-UHFFFAOYSA-N 292.159 2.914 30 50 CFEA in-vitro C#CCC(C)(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C 193657347 PJSIIFKBWFXFBG-HOCLYGCPSA-N 286.419 2.844 30 50 CFEA C#CCCC1(CCC(=O)N2CCCC[C@H](COC)C2)N=N1 952883739 XFWBKHJBYWHLLS-AWEZNQCLSA-N 291.395 2.617 30 50 CFEA O=C([C@@H]1CO1)N(Cc1ccccc1)C1CCCCC1 1875372368 DSYGUPZRMBUFRZ-HNNXBMFYSA-N 259.349 2.747 30 50 CFEA CO[C@H]1CCCN(c2nc(C)cc(C)c2C#N)CC1 363677580 YSGZWSHXLRAEBD-ZDUSSCGKSA-N 259.353 2.575 30 50 CFEA C=CCNC(=O)c1sc(=S)n(-c2ccccc2)c1N 2507787 CMMVUDDFAVEBIJ-UHFFFAOYSA-N 291.401 2.766 30 50 CFEA C[C@H]1CCc2c(sc(NC(=O)c3cnccn3)c2C#N)C1 133291 JOKPNMJSMLTNHF-VIFPVBQESA-N 298.371 2.787 30 50 CFEA O=C(C[n+]1ccc2ccccc2c1)Nc1ccccc1 1903173 CHCDBGZNPSRWLP-UHFFFAOYSA-O 263.320 2.766 30 50 CFEA O=C(O)/C=C\C(=O)Nc1ccccc1C#Cc1ccccc1 32116746 HHHFPVVMOBYDSB-SEYXRHQNSA-N 291.306 2.666 30 50 CFEA biogenic CCn1ccnc1CN1C[C@@H](C#N)[C@H](c2ccccc2)C1 367839202 LDOBBHZNELMQCL-CVEARBPZSA-N 280.375 2.642 30 50 CFEA CC1=C(C)[C@@]2(C)[C@H]3C(=O)C=CC(=O)[C@H]3[C@@]1(C)C(=O)C2(C)C 229858907 RQFQLKCULHEKLG-BODMPHMZSA-N 286.371 2.898 30 50 CFEA Fc1ccccc1COc1cccc(/C=N/n2cnnc2)c1 459748 XFSVZTXZSLTXNB-AWQFTUOYSA-N 296.305 2.878 30 50 CFEA C/C(=N\Nc1nccnc1Cl)c1ccc(O)cc1 18996787 HIUCRKUVWNTHHX-LZYBPNLTSA-N 262.700 2.672 30 50 CFEA N#Cc1c(N)nc2c(c1-c1ccc(F)cc1)CCC2 19805507 ODNMTXWVAZKNSM-UHFFFAOYSA-N 253.280 2.830 30 50 CFEA C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccs1 19959613 JQRQTYFSDVVJIA-AMIZOPFISA-N 286.360 2.608 30 50 CFEA Cc1nc(N/N=C/c2ccc3c(c2)OCO3)sc1C 4613938 RYLWGGVNTOGVNM-MKMNVTDBSA-N 275.333 2.935 30 50 CFEA CCn1cc(/C(O)=N/C[C@H]2CCO[C@@H]2c2ccccc2)cn1 328616066 ZXRXXZZODMHKCT-GDBMZVCRSA-N 299.374 2.985 30 50 CFEA CC(=O)c1c(/C=C/N(C)C)oc2cc(C#N)c(C#N)cc12 257540402 NAOVENDHZRJUED-SNAWJCMRSA-N 279.299 2.911 30 50 CFEA N#Cc1cnc2c(F)ccc(F)c2c1N1CC[C@@H](F)C1 590707842 ATZFKMJPYWVBCH-SECBINFHSA-N 277.249 2.933 30 50 CFEA C=CCN1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 141088 LOCZFXNQRFKLPG-GOSISDBHSA-N 279.339 2.716 30 50 CFEA N#Cc1cnccc1/C=C/c1cccc(OCCC(=O)O)c1 347423060 GCYJFQBPROJXDA-SNAWJCMRSA-N 294.310 2.977 30 50 CFEA Cc1ccc(-n2[nH]c(C)c(/C=N/c3ccccn3)c2=O)cc1 253535902 VJVUHCUFOPJRNL-YBFXNURJSA-N 292.342 2.928 30 50 CFEA Cc1cccnc1C[C@H](C)Nc1cc(C#N)ccn1 670446006 WWPBMQTVJQKMCP-LBPRGKRZSA-N 252.321 2.700 30 50 CFEA CC1(C)OB(c2cnc3cccc(F)c3c2)OC1(C)C 203592168 PJMOQOJPDGRXEP-UHFFFAOYSA-N 273.116 2.673 30 50 CFEA CCc1nc(SCc2ccccc2F)[nH]c(=O)c1C#N 5238890 CERXWBQFGLAKJQ-UHFFFAOYSA-N 289.335 2.635 30 50 CFEA C=COC(=O)CSc1nc(C)c(CC)c(C)c1C#N 36732 AKNFNVIRTBMTNV-UHFFFAOYSA-N 276.361 2.911 30 50 CFEA CCN(CC)CC#C[C@H](OC(C)=O)c1ccccc1 2495856 GNHRENZQGXOYNY-INIZCTEOSA-N 259.349 2.636 30 50 CFEA C=C[C@@H](O)C#CC#C[C@@H](O)/C=C\CCCCCCC 8214562 QWCNQXNAFCBLLV-YWALDVPYSA-N 260.377 2.818 30 50 CFEA endogenous,in-man COC(=O)C[C@@H](C#N)c1ccc(Br)cc1 57555952 JYGMYDOUINVBRU-VIFPVBQESA-N 268.110 2.619 30 50 CFEA N#Cc1ccc(C(=O)N2CCC[C@@](CO)(CC3CC3)C2)cc1 91617086 NFTHMDRAHSFUOA-GOSISDBHSA-N 298.386 2.573 30 50 CFEA CC[C@@H](CC#N)OC(=O)c1ccc(N(C)C)cc1F 170605106 PDYHEDPXCLPIKL-NSHDSACASA-N 264.300 2.741 30 50 CFEA CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1CCCc2cccnc21 252500948 UACHFEBZZDZHAS-CXAGYDPISA-N 285.391 2.946 30 50 CFEA CN(C)c1cccc(CNc2cccc(F)c2C#N)n1 253398571 QUMSYTONKJKAFG-UHFFFAOYSA-N 270.311 2.770 30 50 CFEA N#CC1(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 362295542 MRSFDHOAKPIHMU-KGLIPLIRSA-N 278.302 2.688 30 50 CFEA C=CC[C@H](C(=O)N1C(=O)OC[C@@H]1C(C)C)C(C)C 34565124 DEELJWCZSPRQLH-NWDGAFQWSA-N 253.342 2.838 30 50 CFEA N#C[C@H]1CCC[C@@H](NCCOc2ccc(Cl)cn2)C1 185855788 NJJUGSXZLKGLEY-WCQYABFASA-N 279.771 2.786 30 50 CFEA C=CCc1cc(CN2C[C@H](C)O[C@@H](C)C2)c(O)c(OC)c1 31638454 XLPOFFREQSDPEX-STQMWFEESA-N 291.391 2.739 30 50 CFEA C=C(C)C[C@@H](C)C(=O)NCc1c(C2CCC2)cnn1C 585113745 AWOXNNAQPKSFPS-GFCCVEGCSA-N 275.396 2.906 30 50 CFEA CCSc1cccnc1C(=O)N1CCC[C@](C)(C#N)C1 590705541 GFWDYAXVNVUGPC-OAHLLOKOSA-N 289.404 2.959 30 50 CFEA Cc1cc(C)c(C#N)c(NC[C@@H]2C[C@@H](C)O[C@@H]2C)n1 591193697 RDWUUPHFUQAGFI-UPJWGTAASA-N 259.353 2.796 30 50 CFEA COc1cc([C@H](C#N)N2N=C(C)CC2(C)C)ccc1O 34907 PEHAWCRXRUFMGE-LBPRGKRZSA-N 273.336 2.826 30 50 CFEA N#Cc1c(NC[C@]23CCCC[C@H]2C3(F)F)cc[nH]c1=N 2325780801 QCIKPDRQHNEUNN-DGCLKSJQSA-N 278.306 2.603 30 50 CFEA C[C@H]1C[C@@H]1NC1CCC(C#N)(c2ccccn2)CC1 2325853317 LITWYBAIEWXVRT-REWIBIJMSA-N 255.365 2.784 30 50 CFEA Cc1nc(N2CCc3c(cnc(C)c3C#N)C2)nc(C)c1C 2356151650 RSIXZIOTBVOSCU-UHFFFAOYSA-N 293.374 2.540 30 50 CFEA C=C(C)COc1cccc(NC(=O)NCCCOC)c1 67319659 RXPJBDRZFXUQBW-UHFFFAOYSA-N 278.352 2.800 30 50 CFEA CC(C)(C)OC(=O)NCc1ccc(C#N)c(F)c1 71610749 RXPIQTLYLUDUNU-UHFFFAOYSA-N 250.273 2.722 30 50 CFEA CC[C@](C)(C#N)C(=O)N1CC(C)(c2ccccc2F)C1 376006983 GBBIRMZXYHKDDL-OAHLLOKOSA-N 274.339 2.865 30 50 CFEA N#CCC1CCN(C(=O)[C@H]2CCCCCC(=O)C2)CC1 336099654 LMDNXYNRYPYEMR-AWEZNQCLSA-N 276.380 2.678 30 50 CFEA C=C(C)CN(Cc1ccccc1)C(=O)Cc1cnoc1 585129426 JBDBSYLPYZJZJL-UHFFFAOYSA-N 270.332 2.822 30 50 CFEA Cc1cc(C)c(C#N)c(N(C)CC[C@@H]2CCCCO2)n1 1506400862 AIOVDWZAGUABQK-AWEZNQCLSA-N 273.380 2.966 30 50 CFEA C=CCN1C(=O)/C(=C\c2ccc(C)cc2)C(C(=O)OC)=C1C 15856697 WVLGVGOBLFOFIQ-PTNGSMBKSA-N 297.354 2.854 30 50 CFEA C=C[C@H](C)NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 222321166 UXBMMDROZFBOSN-AEGPPILISA-N 274.364 2.780 30 50 CFEA C#CCn1cc(CN(C)Cc2ccc(Cl)cc2F)cn1 253432644 MDKQJQZBJRRGIX-UHFFFAOYSA-N 291.757 2.941 30 50 CFEA C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(C)=O 6698071 FRYXAVFIGKESCH-UHFFFAOYSA-N 271.320 2.580 30 50 CFEA Cc1ccc(C#N)c(N2CCC=C(c3ccncc3)C2)n1 343920240 SCQYJJQLFJRKQU-UHFFFAOYSA-N 276.343 2.950 30 50 CFEA CC[C@H](CC(F)(F)F)/N=C(/O)c1nc(C)c(C)nc1O 330882298 ZIIWHLLWHJHPMA-MRVPVSSYSA-N 291.273 2.835 30 50 CFEA C=CCN1C(=O)O[C@@](C)(CCC=C(C)C)[C@@]1(C)O 49487 UOKVKKBVZREBLQ-UONOGXRCSA-N 253.342 2.838 30 50 CFEA Cc1ccc(C(=O)NC(=S)Nc2ccc(C#N)cc2)cc1 491560 QZXSGEYUOFRABS-UHFFFAOYSA-N 295.367 2.994 30 50 CFEA N#Cc1cccc(CN2CC[C@](CO)(c3ccccc3)C2)c1 365850578 YQYKGSARXYGVDZ-IBGZPJMESA-N 292.382 2.694 30 50 CFEA N#CC1(C(=O)N2CCOc3cccc(F)c3C2)CCCC1 336124544 JBDQULOHURYABT-UHFFFAOYSA-N 288.322 2.631 30 50 CFEA C#C[C@H](NC(=O)NCc1ccc(NCCC)cc1)C(C)C 239761248 CJIFLOXXFFPXET-INIZCTEOSA-N 287.407 2.966 30 50 CFEA CC(C)(C)OC(=O)N1CC2(CCC(C=O)CC2)C1 261506982 DENTZXANSHPNOQ-UHFFFAOYSA-N 253.342 2.613 30 50 CFEA CN1CCC[C@H](Nc2cncc(C#N)n2)c2ccccc21 565650971 WOCYNCMWLRMSRK-AWEZNQCLSA-N 279.347 2.731 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1c2ccccc2C[C@@H]1CO 585126545 BSCFLJXXTANZGB-GXTWGEPZSA-N 259.349 2.539 30 50 CFEA Cc1ccc(-c2nnc(S)n2/N=C/c2ccncc2)cc1 1242880 CJDBJWUUXGTMRT-LICLKQGHSA-N 295.371 2.819 30 50 CFEA CCC/N=C/c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 263618542 UGQQYYZQDNRVLZ-LDADJPATSA-N 273.185 2.815 30 50 CFEA in-vitro CCn1ccc(C(=O)Nc2sc(C)c(C)c2C#N)n1 6730209 VMUYYWWPGJOKEG-UHFFFAOYSA-N 274.349 2.705 30 50 CFEA C[Si](C)(C)c1ccc(CNc2nccnc2C#N)cc1 225535574 VMZSMZLPBBWZTB-UHFFFAOYSA-N 282.423 2.506 30 50 CFEA CC1(C)OB(Cc2ccc(C(=O)O)cc2)OC1(C)C 170005827 BIXDFOLBONCUSN-UHFFFAOYSA-N 262.114 2.559 30 50 CFEA CC(=O)N(C1CCC1)[C@H]1CCCN(CCCC#N)CC1 328654667 XPIJCUXNCSUTTE-INIZCTEOSA-N 277.412 2.546 30 50 CFEA COC(=O)c1cc(O)cc(-c2cccc(C#N)c2)c1 97757318 RGJFDHSQBNOMML-UHFFFAOYSA-N 253.257 2.717 30 50 CFEA CN(CCC#N)c1ncc(Cl)cc1Br 162760498 WJURBBJIFUBGCL-UHFFFAOYSA-N 274.549 2.847 30 50 CFEA CCOC(=O)c1cc(F)c(Br)c(C#N)c1 263625245 YAKMTWOGYHKELW-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA CC(C)(C#N)c1ccccc1COc1coc(CO)cc1=O 194648165 KKSZEFPHYOZDBI-UHFFFAOYSA-N 299.326 2.512 30 50 CFEA N#Cc1ccnc(NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 581267861 GUCQMMKQSHOIGA-DGCLKSJQSA-N 299.296 2.849 30 50 CFEA CSc1nsc(N=C(O)N2CC[C@H]3CCC[C@H]32)n1 330247282 LPQZHEIYBQGGRM-HTQZYQBOSA-N 284.410 2.680 30 50 CFEA Oc1ccc(/C=N/Nc2nncc(-c3ccccc3)n2)cc1 13476686 VVCZGBVVALFMJF-LICLKQGHSA-N 291.314 2.690 30 50 CFEA CC[C@H]1CCc2c(sc(NC(=O)CN(C)C)c2C#N)C1 6731007 CKPFLOHZIXYVJN-JTQLQIEISA-N 291.420 2.635 30 50 CFEA CC(C)(C)O/C(O)=N/[C@H]1CCc2nc(C=O)sc2C1 328579541 OHCJVPLSIIRYCU-QMMMGPOBSA-N 282.365 2.542 30 50 CFEA CN(CC[C@H]1CCCCO1)Cc1ccc(C#N)cc1 215253639 GNDXXUJMTNUJAH-MRXNPFEDSA-N 258.365 2.949 30 50 CFEA Cc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1 196445075 VRSPWYOVZXBUGL-UHFFFAOYSA-N 275.182 2.904 30 50 CFEA N#CC1CCN(C(=O)NCc2c(F)cccc2Cl)CC1 299389005 DRRICXRDRKZJGP-UHFFFAOYSA-N 295.745 2.924 30 50 CFEA C=CCC[C@H]1CCCN1C(=O)/C=C/c1cc(C(=O)O)co1 1344550594 IHYCNHOAEXRKMF-GWJCSSMESA-N 289.331 2.948 30 50 CFEA Cc1ccc(Nc2nc3ccccn3c(=O)c2/C=N/O)cc1 297895 XQFLPTJKLFFEFH-LICLKQGHSA-N 294.314 2.555 30 50 CFEA COc1ccsc1CN[C@H]1Cc2ccc(C#N)cc2C1 865849670 XOLITIYZYMXITO-AWEZNQCLSA-N 284.384 2.885 30 50 CFEA C#CCCC1(CCC(=O)N2CCCC[C@H]2C(F)F)N=N1 952879786 ATTZYKOUDSNRRS-NSHDSACASA-N 283.322 2.988 30 50 CFEA CC#CC(=O)N[C@@H](CC1CCCCC1)c1ncccn1 1875363044 AKCHWMYHNCQVKY-AWEZNQCLSA-N 271.364 2.628 30 50 CFEA C[C@@H]1CCc2c(sc(NC(=O)c3cnccn3)c2C#N)C1 133292 JOKPNMJSMLTNHF-SECBINFHSA-N 298.371 2.787 30 50 CFEA CC(C)NC1(C#N)CCN(Cc2ccccc2)CC1 393835 AFWVUHFFBULMAW-UHFFFAOYSA-N 257.381 2.543 30 50 CFEA CCc1c(C)c(OC[C@H]2CO2)cc(C)c1OC(C)=O 6168644 AKBHGUUFYDPRRW-GFCCVEGCSA-N 264.321 2.569 30 50 CFEA C=CCNC(=O)c1ccccc1NC(=O)c1cccc(F)c1 6728902 YNCNNGLDTLTSSF-UHFFFAOYSA-N 298.317 2.994 30 50 CFEA Cc1ccc(C(=O)/C=C2/Nc3ccccc3NC2=O)o1 100142949 PJHIXNOZKJZRGK-XYOKQWHBSA-N 268.272 2.719 30 50 CFEA Cc1nc(C)c(C/N=C(/O)C[C@H]2CCOC2)s1 329596380 INRGYMUOIUNURH-SNVBAGLBSA-N 254.355 2.643 30 50 CFEA CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC=O)C2 616582212 IGOOIKREFMDSNG-RYUDHWBXSA-N 253.342 2.754 30 50 CFEA C#C[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CCCO1 775428347 NCIVBKAKCCAAHV-CHWSQXEVSA-N 296.729 2.781 30 50 CFEA C=CCC[C@H](CN(C)Cc1cccnc1)Oc1ncccn1 67514335 MKQAWMWJLVEWTK-MRXNPFEDSA-N 298.390 2.717 30 50 CFEA CC(O)=Nc1ccn([C@H]2CCN(C3CCCC3)C2)n1 328625296 KQOAKJLFNUAKTP-ZDUSSCGKSA-N 262.357 2.680 30 50 CFEA N#C[C@H]1CCCN(C(=O)Nc2ccc(-n3cccn3)cc2)C1 299785808 MFSNMOSINAHJFC-CYBMUJFWSA-N 295.346 2.640 30 50 CFEA Cc1cc(C)c(CNC(=O)c2ccc(C#N)cc2F)cn1 1361512180 FIHMUFKNAZLERW-UHFFFAOYSA-N 283.306 2.639 30 50 CFEA CCC#CCN1CCC(CNC(=O)c2ccsc2)CC1 952973650 OTGMMKKQSYTUCY-UHFFFAOYSA-N 290.432 2.603 30 50 CFEA CC(C)(/C(O)=N/CC1(C2CC2)CCC1)S(=O)(=O)C1CC1 328843270 WFANSAOQUAYSKO-UHFFFAOYSA-N 299.436 2.879 30 50 CFEA C=CCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 2472207 FKZIDBGIZLBDDF-UHFFFAOYSA-N 290.340 2.790 30 50 CFEA CCOC(=O)c1c(C#N)c(SC)nc2c1CCCC2 4454750 LYVOXASRAVBDCH-UHFFFAOYSA-N 276.361 2.731 30 50 CFEA C=C(C)COc1ccc(C(=O)NCc2cccnc2)cc1 6715856 DWBMPDJJGKMXST-UHFFFAOYSA-N 282.343 2.967 30 50 CFEA C[C@@H]1CCCC[C@@H]1NC=C1C(=O)CC(C)(C)CC1=O 100444494 TYKJFMGGRWEHEW-YPMHNXCESA-N 263.381 2.997 30 50 CFEA C=C(C)COc1cccc(CN[C@@H](C)c2nc[nH]n2)c1 55225348 QMQUASFUOFZKOC-LBPRGKRZSA-N 272.352 2.610 30 50 CFEA Cc1ccccc1[C@@H]1C2=C(C[C@@H](C)CC2=O)Nc2ncnn21 10339508 GFOBERPIZPCKNS-QLJPJBMISA-N 294.358 2.855 30 50 CFEA COc1cc(/C(O)=N/C(C)(C)c2c(C)noc2C)on1 330670588 MCDDTDYGNKEYMZ-UHFFFAOYSA-N 279.296 2.528 30 50 CFEA COC(C/C(C)=C/B1OC(C)(C)C(C)(C)O1)OC 1554713255 AGJDLNXUAZAHCR-MDZDMXLPSA-N 256.151 2.573 30 50 CFEA N#C[C@H]1CCC[C@H](NCCOc2ccc(Cl)cn2)C1 185855806 NJJUGSXZLKGLEY-AAEUAGOBSA-N 279.771 2.786 30 50 CFEA Cc1nn([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1C#N 408230798 IZRZMLBMHDTWIG-HTTKSJEASA-N 288.395 2.565 30 50 CFEA C=C[C@@H](C)CC[C@@H](OC(C)=O)C(C)(C)OC(C)=O 5354280 VMIOCHYFRQSIRR-ZWNOBZJWSA-N 256.342 2.862 30 50 CFEA COc1ccccc1O[C@H](C)C(=O)Nc1cccc(C#N)c1 5965434 KPHKZDMWPALKMD-GFCCVEGCSA-N 296.326 2.973 30 50 CFEA CC(=O)Nc1ccc(/C=C\C(=O)c2cccnc2)cc1 4566938 IKABVNSSTWDGCO-TWGQIWQCSA-N 266.300 2.936 30 50 CFEA Cc1cc(C)cc([C@H]2CCN(c3cnc(C#N)cn3)C2)c1 129790750 IHBNMIHHTFUMLD-AWEZNQCLSA-N 278.359 2.959 30 50 CFEA CC(C)(C#N)CS(=O)(=O)N1CCC[C@H](C(C)(C)C)C1 826672435 NKBLHLBXSHIKSV-LBPRGKRZSA-N 286.441 2.624 30 50 CFEA COc1ccc(C2=C(N)c3ccccc3C2=O)cc1 436561 GRRVQHAWHJWKLV-UHFFFAOYSA-N 251.285 2.719 30 50 CFEA C=CCC[C@@](C)(C#CCN(CC)CC)OC(C)=O 2837531 PXKKYYXOWAXOET-HNNXBMFYSA-N 251.370 2.620 30 50 CFEA O/N=C1/c2ccccc2/C(=N/O)C1c1ccccc1 100103706 BZLZDOVUZZGXFD-RYOQUFEFSA-N 252.273 2.841 30 50 CFEA Cc1cc([C@H]2CCCN(c3nc(C)ccc3C#N)C2)[nH]n1 282247748 MNMXJTGJMBVKQI-AWEZNQCLSA-N 281.363 2.677 30 50 CFEA N#Cc1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)F 2784668 VHGGATHNAQXGEN-BDAKNGLRSA-N 264.235 2.711 30 50 CFEA CC1(C)[C@H]2CN(C(=O)/C=C/c3cccc(C#N)c3)C[C@H]21 174096162 WWMWSBZODPXBNE-JRIJJQDJSA-N 266.344 2.686 30 50 CFEA O=C1Nc2ccccc2/C1=C1/Nc2ccccc2C1=NO 299888369 HBDSHCUSXQATPO-HCRZQDDKSA-N 277.283 2.654 30 50 CFEA Cc1ccc(C#N)c(N2CCC[C@H]2[C@H]2CCCOC2)n1 1875305438 RDWKVPACFGZUBP-GJZGRUSLSA-N 271.364 2.657 30 50 CFEA N#C[C@H](NC(=O)c1cnc(C2CC2)o1)C1CCCCC1 889819143 IFJYRDHZCCFSTN-LBPRGKRZSA-N 273.336 2.754 30 50 CFEA CCC[C@H]1CN(c2nc(C)cc(C)c2C#N)C[C@@H]1N(C)C 1565516529 VUZKOEBIGHODSR-HOCLYGCPSA-N 286.423 2.737 30 50 CFEA Cc1cc(=N[C@@H]2CCN(c3ccccc3F)C2)c(C#N)c[nH]1 425271098 UQMGCPWEGZBWQF-CQSZACIVSA-N 296.349 2.514 30 50 CFEA Cc1cc(C)c(C#N)c(NC[C@H](O)c2ccsc2)n1 218913305 FFYXODLVZOAEFZ-ZDUSSCGKSA-N 273.361 2.777 30 50 CFEA Cc1nsc(NC(=O)C2CC(C3CC3)C2)c1C#N 2325760761 LGRXEFZDJGMYMK-UHFFFAOYSA-N 261.350 2.698 30 50 CFEA CCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1F 4954903 STOLCQRVPJMOOP-AWEZNQCLSA-N 291.322 2.910 30 50 CFEA Cc1ccnc(NC[C@H](O)CCc2ccccc2)c1C#N 273020537 BWNMTOQGKDVUQV-OAHLLOKOSA-N 281.359 2.667 30 50 CFEA CC#CC(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 801193448 JKPCNGUESGFDSF-KRWDZBQOSA-N 279.339 2.527 30 50 CFEA COC(=O)c1cc2oc3ccccc3c2n1C[C@H]1CO1 2531951 HXNXDLNRYHZDFR-VIFPVBQESA-N 271.272 2.573 30 50 CFEA N#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1O 62720738 DGJXLZTURIWFSZ-UHFFFAOYSA-N 256.105 2.696 30 50 CFEA CCC(CC)(CN[C@H]1CCC[C@@H](C#N)C1)C(=O)O 263075015 QJVJHNQSRWNQMV-NEPJUHHUSA-N 252.358 2.549 30 50 CFEA Cc1ccc2c(c1)C(=NO)C(=O)[N+]2Cc1ccccc1 343516938 LKBYTAVMKDZTCL-UHFFFAOYSA-N 266.300 2.685 30 50 CFEA CCOC(=O)[C@H](C=O)Cc1ccc(Cl)c(Cl)c1 261361152 RUJWFRYEVOTNCD-VIFPVBQESA-N 275.131 2.914 30 50 CFEA N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN2CCCC[C@@H]12 222683206 RQKPNOYYEWOWLT-CABCVRRESA-N 286.335 2.505 30 50 CFEA COc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1 19912736 DTGRCZKMUBEENP-LFIBNONCSA-N 291.420 2.826 30 50 CFEA CC#CC(=O)N(C)CCCc1cc(-c2ccccc2)n(C)n1 801141657 PIDOGRWYXPFPNU-UHFFFAOYSA-N 295.386 2.501 30 50 CFEA C=C(CCCOC(C)=O)B1OC(C)(C)C(C)(C)O1 1857781697 URUPDTRFRPZKKZ-UHFFFAOYSA-N 254.135 2.517 30 50 CFEA C=C(C)[C@](C)(C#CCN1CCCCC1)OCCC#N 2932326 WHZSRZWBTZHUJD-INIZCTEOSA-N 260.381 2.741 30 50 CFEA CCN1C(=O)CS/C1=N/C1C2CC3CC(C2)CC1C3 100327914 HBLREDFDMGIKQM-FOCLMDBBSA-N 278.421 2.762 30 50 CFEA CCc1nnc(/N=C(\O)[C@@H](C)N2CCC(C)CC2)s1 20018997 TUHVFJAFDUEAJB-SNVBAGLBSA-N 282.413 2.809 30 50 CFEA CCOC(=O)[C@@H](C)Sc1nc(C)c(C)cc1C#N 484437 DVKWTAFGJUVGES-SNVBAGLBSA-N 264.350 2.614 30 50 CFEA O=C(O)/C=C/C(=O)c1ccc2c3c(cccc13)CC2 71772884 OLAKIVCWXCQXPN-CMDGGOBGSA-N 252.269 2.762 30 50 CFEA C[C@@H]1CCN(C(=O)/C=C/c2cccc(C#N)c2)[C@@H]1C 178148309 NKMLRVOMFZJKBE-AMRKSYTLSA-N 254.333 2.828 30 50 CFEA CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OCC 201911629 MBCMPJGYOKNJKF-UHFFFAOYSA-N 292.184 2.783 30 50 CFEA Cc1nn(C)c2c1N(CC#Cc1cccs1)CCS2 2325803516 LTCNRWVWIVZUFM-UHFFFAOYSA-N 289.429 2.754 30 50 CFEA C#CCNC(=O)NC(=O)c1sc2ccccc2c1Cl 2496811 YYQYWFAFRHLVQC-UHFFFAOYSA-N 292.747 2.627 30 50 CFEA O=C(Nc1ccccc1)[C@@]12C[C@H]1/C(=N\O)c1ccccc1O2 100058162 FPXPIEZPAXSELW-MUYFYYQASA-N 294.310 2.655 30 50 CFEA in-vitro CN(C)c1cc(N=C(O)[C@@H]2CCCOCC2)ccn1 330129393 JYTKMIBDPSYMQP-LLVKDONJSA-N 263.341 2.552 30 50 CFEA CC(C)(C)OC(=O)N1CC[C@@](C=O)(c2ccc(F)cc2)C1 238115524 SGERSXGIPAXPQE-MRXNPFEDSA-N 293.338 2.903 30 50 CFEA c1ccc2c(c1)cnn2-c1ccc(OC[C@@H]2CO2)cc1 1875378399 BXNUMJKMTFLLMT-OAHLLOKOSA-N 266.300 2.803 30 50 CFEA CC(C)C[N@]1C[C@H]1COc1cnc2ccc(C#N)cc2c1 1875379925 ZRRJCVOYRWNLDB-MGPUTAFESA-N 281.359 2.825 30 50 CFEA N#CCc1cccc(C(=O)N2Cc3ccc(O)cc3C2)c1 1364063995 BXCLQVFMZGZWDI-UHFFFAOYSA-N 278.311 2.614 30 50 CFEA Cc1cc(C)n(/N=C/c2c[nH]c3ccccc23)c(=O)c1C#N 116595 WYQJXICDHKGDMK-KEBDBYFISA-N 290.326 2.700 30 50 CFEA C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C#N)c1 453164 IDTLIDQOUUSDRK-GFCCVEGCSA-N 266.300 2.964 30 50 CFEA CN(Cc1ccccc1)c1cc(C#N)c(C#N)cc1[N+](=O)[O-] 4629386 NXSSAKASFLYGMI-UHFFFAOYSA-N 292.298 2.975 30 50 CFEA CCNC(=S)N/N=C/c1c(Cl)cccc1Cl 8692001 GHENJUXVBSVUSE-MKMNVTDBSA-N 276.192 2.811 30 50 CFEA O=C(/C=C(/O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 100879579 WRARGKXNXDIYCL-WEVVVXLNSA-N 261.155 2.782 30 50 CFEA C=C(C)COc1cccc(C(=O)N(C)CCc2cn[nH]c2)c1 55227536 AMUMKRBIDOEMRM-UHFFFAOYSA-N 299.374 2.679 30 50 CFEA C=C(C(=O)c1ccccc1)S(=O)(=O)c1ccccc1 22341396 MEWVMKXVSLTGNV-UHFFFAOYSA-N 272.325 2.857 30 50 CFEA C=CCN1CC[C@H](CNc2cc(C(C)C)nc(C)n2)C1 65488683 NNAZBEOOMWQBBY-CQSZACIVSA-N 274.412 2.828 30 50 CFEA CCc1cccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)n1 336274032 BUDUADGGNVOPQJ-AWEZNQCLSA-N 271.364 2.798 30 50 CFEA O=C1Nc2ccccc2N/C1=C\C(=O)c1ccccc1 85958817 VYSUSLXZOLRSEX-UVTDQMKNSA-N 264.284 2.817 30 50 CFEA O=[N+]([O-])c1ccc(O)c(C=Nc2nc3ccccc3[nH]2)c1 252680329 ZCLFUISNDXTDOR-UHFFFAOYSA-N 282.259 2.927 30 50 CFEA CCn1cc(CN(C)C[C@H]2Cc3ccccc3O2)cc1C#N 670470095 VFXAYDVVSDDDRX-QGZVFWFLSA-N 295.386 2.815 30 50 CFEA N#C[C@H]1C[C@@H](F)CN1C(=O)c1cc(Cl)ccc1F 1875370199 FSGDUGWVRSAZOI-RKDXNWHRSA-N 270.666 2.555 30 50 CFEA N#Cc1[nH]cnc1NC(=O)c1cccc(C(F)(F)F)c1 196117403 UUKNXJPHCBVXIZ-UHFFFAOYSA-N 280.209 2.552 30 50 CFEA Cc1ccc([C@@H]2CC(=O)C=C(Nc3nnc[nH]3)C2)cc1 4511200 REUXQCFGUKQQSF-LBPRGKRZSA-N 268.320 2.556 30 50 CFEA CC(=O)Nc1cc(/C=N/Nc2ccccc2)cc([N+](=O)[O-])c1 4754041 LSVLTRHPXGJOPF-MHWRWJLKSA-N 298.302 2.999 30 50 CFEA N#C[C@@H](C(=O)CN1CCCCCC1)c1ccccc1 4866142 YHCMXAUXHBPMML-OAHLLOKOSA-N 256.349 2.739 30 50 CFEA N#Cc1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1 40282997 OSTPQOQSIBKGRU-UHFFFAOYSA-N 287.322 2.830 30 50 CFEA O=C[C@@]12[C@@H]3[C@@H]4[C@H]([C@H]5CC=C[C@@H]53)[C@@H]3[C@H]5[C@@H]4[C@@H]1[C@@H]1CC[C@@H](O[C@@H]32)[C@H]15 254821236 GVVNEXCWLFFAGP-CVMQTNRMSA-N 294.394 2.539 30 50 CFEA N#Cc1c[nH]c(-c2ccccc2Cl)c(C#N)c1=N 1775938109 GMMNOWLEXZODTJ-UHFFFAOYSA-N 254.680 2.558 30 50 CFEA CO[C@]1(C)CCCN(c2nc3ncccc3cc2C#N)CC1 596217920 PIKFHNWDHUXPES-QGZVFWFLSA-N 296.374 2.897 30 50 CFEA O=C(C[n+]1ccccc1)Nc1cccc(C(F)(F)F)c1 5897617 ZIHJYMILRVATAW-UHFFFAOYSA-O 281.257 2.632 30 50 CFEA CN1CCc2nc(S)c(C#N)c(-c3ccsc3)c2C1 2475782 NZWIBXPOJDJIOK-UHFFFAOYSA-N 287.413 2.958 30 50 CFEA Sc1nnc(SCC#Cc2ccccc2)s1 2313385 LNOVZJFBUSHQLL-UHFFFAOYSA-N 264.400 2.971 30 50 CFEA CC#Cc1ccc(-c2ccc([C@@H](O)CO)s2)s1 13307094 RVVLUQPXASICPK-JTQLQIEISA-N 264.371 2.874 30 50 CFEA biogenic,in-vitro COc1ccc(O)c(/C=N/Nc2nc3ccccc3[nH]2)c1 5062100 UMDHZYQJEOLTLP-CXUHLZMHSA-N 282.303 2.723 30 50 CFEA C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccs1 19959617 JQRQTYFSDVVJIA-SDBXPKJASA-N 286.360 2.608 30 50 CFEA Cc1cc[n+](CC(=O)c2ccc(Br)cc2)cc1 1664826 FPDYZPPPQCCNGG-UHFFFAOYSA-N 291.168 2.928 30 50 CFEA C=CC(C)(C)NC(=O)Nc1ccnc(C2(C)CC2)n1 931093199 ZNSSGAHGRCVWOZ-UHFFFAOYSA-N 260.341 2.614 30 50 CFEA CC(C)=C/C(C)=N\NS(=O)(=O)c1ccc(C)cc1 4829962 UZALTABDZSQUPF-OWBHPGMISA-N 266.366 2.615 30 50 CFEA CCN(CC)c1ncccc1CNc1ncccc1C#N 67673896 QCYPWOOAXRZYCL-UHFFFAOYSA-N 281.363 2.807 30 50 CFEA C[C@H]1CCCN(C/C(O)=N/c2nnc(C3CC3)s2)C1 20028128 DRQDWRADAIVDHB-VIFPVBQESA-N 280.397 2.735 30 50 CFEA Cc1cc(C)nc(CN(C)Cc2cc(C#N)c(C)[nH]2)c1 584902740 KYJLCVDDJPAVDJ-UHFFFAOYSA-N 268.364 2.839 30 50 CFEA CC1(C)OB(c2cc(C(F)F)cs2)OC1(C)C 1772716927 HOEBFLNDQZPIIV-UHFFFAOYSA-N 260.114 2.985 30 50 CFEA N#Cc1ccnc(N2CC3(CCOCC3)c3ccccc32)n1 575603204 QTCSIFXFTQZPDS-UHFFFAOYSA-N 292.342 2.548 30 50 CFEA CSc1nc(N)c(C#N)c(Cc2ccccc2)c1C#N 19640641 NNCPEXHFFHXOFT-UHFFFAOYSA-N 280.356 2.720 30 50 CFEA Oc1ccc2oc3c(c2c1/C=N/c1nnc[nH]1)CCCC3 6438261 FYWNEGGIJOTREY-FRKPEAEDSA-N 282.303 2.886 30 50 CFEA O=C1C(=O)c2ccccc2/C1=C/c1cccc([N+](=O)[O-])c1 2842500 DAVDQEMWIKPBNR-ZROIWOOFSA-N 279.251 2.901 30 50 CFEA O=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc21 100476983 BLXXUTVXRNZUQX-UHFFFAOYSA-N 265.268 2.767 30 50 CFEA C[C@@H](O)C#CC(=O)N(c1ccccc1)c1ccccc1 113903079 YGFCFRBHEOHPJI-CQSZACIVSA-N 265.312 2.736 30 50 CFEA N#Cc1cc(Br)c(C#N)cc1Br 330714 JLLBPEUXSDBMIZ-UHFFFAOYSA-N 285.926 2.955 30 50 CFEA N#Cc1cccc(C(=O)N2CCC3(CCOCC3)CC2)c1 284576318 RKWWRMDFXWMNGB-UHFFFAOYSA-N 284.359 2.591 30 50 CFEA CCNC(=S)N/N=C/c1cccc(Cl)c1Cl 4335602 BHMVTTJPRHWWBG-MKMNVTDBSA-N 276.192 2.811 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1CCc1ccc(F)cc1 11815511 CHUAWRIXPJEYGE-MRXNPFEDSA-N 290.382 2.525 30 50 CFEA Cc1cnn(-c2cc(N/N=C/c3ccccc3F)ncn2)c1 4595724 KLASABBSOQZZOF-UFWORHAWSA-N 296.309 2.556 30 50 CFEA O=C1C=CC(=O)C(c2cccc(C(F)(F)F)c2)=C1 86613 GHURNFCYYXSVDE-UHFFFAOYSA-N 252.191 2.797 30 50 CFEA COC(=O)[C@@]1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CC1 218509401 MKYLMCZISMAYLU-HNNXBMFYSA-N 280.173 2.907 30 50 CFEA COC(=O)c1ccc(COc2nc(C)cc(C)c2C#N)o1 467362 SXCLIETXBFWMMS-UHFFFAOYSA-N 286.287 2.529 30 50 CFEA CCOC(=O)c1ccc(NC(=O)ON2CCCCC2)cc1 397726 QWFNDVVIQSJGNM-UHFFFAOYSA-N 292.335 2.813 30 50 CFEA Oc1ccc2ccccc2c1/C=N\N=c1\cccc[nH]1 4974637 SJAJMGQSQCLFSP-WQRHYEAKSA-N 263.300 2.808 30 50 CFEA C#C[C@H](OCc1ccc(OC)cc1)[C@H](C)C/C=C/CO 43763471 ZQDJEUGWRQUNGK-HVMMPBATSA-N 274.360 2.788 30 50 CFEA C=CC[C@H]1CC=C(Br)[C@@H](CC(C)=O)N1 40457253 FKELFNAVZPIGPY-GXSJLCMTSA-N 258.159 2.551 30 50 CFEA COC(=O)[C@@H](C)Sc1ccc(C#N)cc1Cl 268220190 JCFBYDPBMPROAE-SSDOTTSWSA-N 255.726 2.865 30 50 CFEA C#CCCC1(CCC(=O)N2CCCC3(CC3)C2)N=N1 952880462 BINMTQXHGYHBNV-UHFFFAOYSA-N 259.353 2.745 30 50 CFEA Cc1cc(C)c2c(c1)CN(c1cncc(C#N)n1)CC2 571751408 MLFIUUGFUVINBN-UHFFFAOYSA-N 264.332 2.528 30 50 CFEA COc1ccc(/C=C2/C(=O)ON=C2C)cc1Br 92174 QWGUTNVZOIHYEU-WEVVVXLNSA-N 296.120 2.774 30 50 CFEA Cc1cccc(C(=O)O/N=C2\C[C@H](C)N(C)C[C@@H]2C)c1 13556171 WSBKLQGARDLANT-YXEAAEFPSA-N 274.364 2.868 30 50 CFEA C=CCn1c(S)nnc1COc1cccc(C)c1C 5520396 BXBCLXPJKNCSSP-UHFFFAOYSA-N 275.377 2.949 30 50 CFEA in-vitro N#CCCN(CCC#N)c1nc2c(s1)CCCC2 4714216 LSLQDIVPVWQHQV-UHFFFAOYSA-N 260.366 2.656 30 50 CFEA N#Cc1nc(-c2ccc(Cl)cc2)oc1NCCCN 1857798411 FFQNWORISKKDDX-UHFFFAOYSA-N 276.727 2.627 30 50 CFEA COc1cc(C#N)ccc1OCc1ccc2c(n1)NCC2 2356139243 UVRPZQSWDYLPFC-UHFFFAOYSA-N 281.315 2.509 30 50 CFEA C=CCCc1nc(-c2c(OC)cccc2OC)no1 32511645 IQENWXHYOCRIOY-UHFFFAOYSA-N 260.293 2.872 30 50 CFEA CC1(C)OB(c2ccc(NCl)cc2)OC1(C)C 216632477 CFWHVQBXNZZHJB-UHFFFAOYSA-N 253.538 2.552 30 50 CFEA CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1F 306797847 ZIVTVSPRTNPCPU-UHFFFAOYSA-N 265.137 2.643 30 50 CFEA CCN(Cc1cnn(CC)c1)c1nc(C)cc(C)c1C#N 1506414709 RCJNJXJRLSJMQC-UHFFFAOYSA-N 283.379 2.813 30 50 CFEA CSc1ccc(NC(=O)N2CCC(C#N)CC2)nc1 239654437 BNMVNABHLBMBTK-UHFFFAOYSA-N 276.365 2.571 30 50 CFEA COc1cc(C#CC(=O)O)ccc1OCc1ccccc1 393012 WNXCFVIZOSGWOQ-UHFFFAOYSA-N 282.295 2.710 30 50 CFEA C#Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 455130 MVMCQFUKTUXXAT-UHFFFAOYSA-N 296.282 2.594 30 50 CFEA O=[N+]([O-])c1cccc(/C(=N/C2CCCCC2)NO)c1 4975520 ZILFLGDTIWKYOW-UHFFFAOYSA-N 263.297 2.653 30 50 CFEA C=CCc1ccccc1OCCCCN1CCOCC1 20118519 KFOSVLCDGJCZEF-UHFFFAOYSA-N 275.392 2.906 30 50 CFEA CCCC[C@H]1N=C(O)N(c2cc(C#N)ccc2C)C1=O 328595584 YQLXOXWBXUINCD-GFCCVEGCSA-N 271.320 2.686 30 50 CFEA O=[N+]([O-])c1ccc(C#Cc2ccc([N+](=O)[O-])cc2)cc1 3205133 FFPKJHSMYNNWJB-UHFFFAOYSA-N 268.228 2.903 30 50 CFEA biogenic CC#CCCCC(=O)N1CC(N(C)Cc2ccccc2)C1 253417551 XLDGAAMGNMZMIN-UHFFFAOYSA-N 284.403 2.523 30 50 CFEA CCOC(=O)N1CC[C@@](C#N)(Nc2ccccc2)[C@@H](C)C1 196077463 XBAFUOWFJSCHEJ-BBRMVZONSA-N 287.363 2.859 30 50 CFEA OCC#Cc1csc(CN2CCC[C@@H]2c2cccnc2)c1 828644581 GKEHXZFFZRUSMQ-QGZVFWFLSA-N 298.411 2.824 30 50 CFEA CNC(=NCc1ccc(-c2ccc(OC)cc2)s1)NC 170649349 HJCCHUJZWPPODG-UHFFFAOYSA-N 289.404 2.719 30 50 CFEA N#Cc1cc(Br)c(N)c(C(F)(F)F)c1 16677979 ZUWZYKRZBLJCJO-UHFFFAOYSA-N 265.032 2.922 30 50 CFEA Oc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1 12560963 VYJJTZBKMFTTEX-XMHGGMMESA-N 295.386 2.544 30 50 CFEA COC(=O)c1ccc2c(c1)SC1=C(CCCC1=O)N2 1070388 BOMACXCNXXRYFX-UHFFFAOYSA-N 275.329 2.955 30 50 CFEA O=C(/C=C\c1ccccc1)C1C(=O)c2ccccc2C1=O 104207278 YXFGAICZGGUTCL-KHPPLWFESA-N 276.291 2.964 30 50 CFEA C#C[C@@H](C)N(C)Cc1ccc(Oc2cnccn2)cc1 225587458 KAQAXOJCJHLXSU-CYBMUJFWSA-N 267.332 2.722 30 50 CFEA Cc1nc2c([nH]1)C[C@H](/C(O)=N/[C@@H]1COc3ccccc31)CC2 328592751 KNVSKPJXCBSJPI-IAQYHMDHSA-N 297.358 2.913 30 50 CFEA C=C1[C@H]2C[C@H]2[C@]2(C)C=C3OC(=O)C(C)=C3[C@H](OC(C)=O)[C@@H]12 211029398 DJENQWQXZQCLHL-PVBKFEAWSA-N 286.327 2.517 30 50 CFEA biogenic O=C(O)CCCCCCC#CCO[C@H]1CCCCO1 43199402 DJSRWOJODMLFNR-OAHLLOKOSA-N 268.353 2.958 30 50 CFEA O=C1C=CC(=NSc2ccc([N+](=O)[O-])cc2)C=C1 3130048 BFOHQFRTXDCMRO-UHFFFAOYSA-N 260.274 2.738 30 50 CFEA Cc1ccc(/C(N)=N/OC(=O)c2cccc(C)c2)cc1 4170018 GRBFILQNDRNGIY-UHFFFAOYSA-N 268.316 2.781 30 50 CFEA C=CCn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 154683 UKPPBIMAPSKSJV-VIFPVBQESA-N 260.362 2.769 30 50 CFEA N#CC1(c2ccc(C(=O)N3O[C@H]4C=C[C@H]3CC4)cc2)CC1 602217805 RXFSDIUVIQMEOQ-GJZGRUSLSA-N 280.327 2.716 30 50 CFEA C[C@]12C[C@@H]3O[C@]34[C@H](CCC3=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O 71772824 GCLIXCGWTLQNCF-GDJIKERASA-N 298.382 2.995 30 50 CFEA CCN(c1ccc(C(F)(F)F)c(C#N)n1)[C@H]1CCOC1 253428542 LZWBFIGQTPEDPK-VIFPVBQESA-N 285.269 2.587 30 50 CFEA CN(Cc1ccc(C#CCO)cc1)C1Cc2ccccc2C1 71755118 QWOTWDJLPWBELT-UHFFFAOYSA-N 291.394 2.630 30 50 CFEA CC#CC(=O)N1CCc2ccccc2[C@@H]1C(F)(F)F 1875369820 KHJOGHZQEYYPHS-CYBMUJFWSA-N 267.250 2.698 30 50 CFEA O=C1N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 219239 KZQFRHPZZWKINZ-ZROIWOOFSA-N 294.266 2.562 30 50 CFEA O=C1C=C(Nc2ncn[nH]2)C[C@H](c2ccc(Cl)cc2)C1 17027668 BPRDVFOCQQWQNQ-JTQLQIEISA-N 288.738 2.901 30 50 CFEA CN(C)CCOc1ccccc1/C=C\C(=O)c1cccnc1 4566721 GIVLPDPMUOHCDQ-KTKRTIGZSA-N 296.370 2.918 30 50 CFEA COc1ccc(CNC=C2C(=O)c3ccccc3C2=O)cc1 100379963 KLCNZLUFHPSKTM-UHFFFAOYSA-N 293.322 2.748 30 50 CFEA C=CCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 117577720 LFGCDZGIEOJPMD-SNVBAGLBSA-N 257.330 2.711 30 50 CFEA C=CCN(CC=C)CCOc1ccc([N+](=O)[O-])cc1 20293426 GBEDOBIVQGIWIB-UHFFFAOYSA-N 262.309 2.648 30 50 CFEA Cc1cc(C)n(-c2cccc(Cl)c2)c(=O)c1C#N 91845 CXLUDQABHCYRDN-UHFFFAOYSA-N 258.708 2.979 30 50 CFEA N#Cc1cnn(-c2ccc(Cl)c(Cl)c2)c1N 3883872 LIBPJAAKKFAEAT-UHFFFAOYSA-N 253.092 2.633 30 50 CFEA FC(F)(F)Oc1ccc(C#CCn2ccnc2)cc1 157388973 MNFQALVCMMVPJQ-UHFFFAOYSA-N 266.222 2.833 30 50 CFEA COC(=O)Cc1ccc(OCc2ccccc2)cc1C#N 252479630 BIZCWSWHNGJQSR-UHFFFAOYSA-N 281.311 2.853 30 50 CFEA C#CCCC1(CCC(=O)Nc2ccc3nccnc3c2)N=N1 952881402 GYNFUNRERDONCL-UHFFFAOYSA-N 293.330 2.924 30 50 CFEA C=CCC1(CC=C)CCCCN1Cc1n[nH]c(C)n1 1704312352 PYQFHTQANSLBDT-UHFFFAOYSA-N 260.385 2.990 30 50 CFEA C=CCNc1nc(N2CCCC2)nc2ccccc12 2891008 ZHBZKSPOQFXRSY-UHFFFAOYSA-N 254.337 2.828 30 50 CFEA CCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1F 4954901 STOLCQRVPJMOOP-CQSZACIVSA-N 291.322 2.910 30 50 CFEA N#Cc1cc(F)ccc1CN(CCO)[C@H]1C[C@H]2CC[C@H]1C2 225470313 HKVAETQHAAWMSA-DCGLDWPTSA-N 288.366 2.680 30 50 CFEA COC(=O)[C@@H]1O[C@@]1(c1ccccc1)c1ccc(F)cc1 334162633 DFMDOEZJDBHGBU-HOCLYGCPSA-N 272.275 2.641 30 50 CFEA CC1(C)CCN(C(=O)c2c[nH]nc2-c2cccc(C#N)c2)C1 1875316042 RSCDGMWEPCDFRX-UHFFFAOYSA-N 294.358 2.820 30 50 CFEA N#Cc1cc(OC[C@@H]2C[N@@]2C2CCC2)ccc1Cl 1875379447 QLLUJAMRYPMZCL-SJCJKPOMSA-N 262.740 2.827 30 50 CFEA C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CC#N 408524165 YQIGDOVRKHZTHM-MRVPVSSYSA-N 276.727 2.649 30 50 CFEA C[C@H](C(=O)[C@H](C#N)C(=O)NC1CC1)c1cc2ccccc2o1 170652290 DJOSTXIXSBVPOO-GWCFXTLKSA-N 296.326 2.524 30 50 CFEA C=CC[C@H](CC)NC(=O)N[C@H](CC)[C@@H]1CCCO1 252493668 NFDSRKQNNOMNCO-XQQFMLRXSA-N 254.374 2.598 30 50 CFEA N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)nc1 110284192 WJGKAFCDTLTTIC-RYUDHWBXSA-N 299.280 2.974 30 50 CFEA C=CCN(CC=C)CCOc1cc(C)ccc1[N+](=O)[O-] 20272513 QANIOWQGGNSRGH-UHFFFAOYSA-N 276.336 2.956 30 50 CFEA CC[C@@H](CC#N)NS(=O)(=O)c1ccc(Cl)cc1C 186438855 OMBVGPCZAQOYCA-NSHDSACASA-N 286.784 2.619 30 50 CFEA N#Cc1cncc(NCC2CC(c3ccccc3)C2)n1 561454508 NZLRPESNCIKZIJ-UHFFFAOYSA-N 264.332 2.954 30 50 CFEA CNC(=O)[C@@H]1CCCC[C@H]1N[C@H](C)c1cccc(C#N)c1 225549304 WWWCGELKLFDWBM-DAXOMENPSA-N 285.391 2.514 30 50 CFEA Cc1nccc([C@@H]2CCCN(c3ncc(C#N)cc3F)C2)n1 591139945 QJETUSDKRBRQQJ-CYBMUJFWSA-N 297.337 2.575 30 50 CFEA CN(C)Cc1ccc(-c2ccc(C#N)cc2)c(CO)c1 2356145361 MQGIKXYVPZAMPW-UHFFFAOYSA-N 266.344 2.779 30 50 CFEA O=C(O)c1cc(/N=C/c2ccc3c(c2)OCO3)ccc1O 22017339 YYYFVWZZNWTUGM-FRKPEAEDSA-N 285.255 2.570 30 50 CFEA C[C@@H]1CC[C@@H](CO)CN1c1nc(C(F)(F)F)ccc1C#N 119384574 REQUVGZXRVWRRS-NXEZZACHSA-N 299.296 2.569 30 50 CFEA N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C[C@@H]1CCOC1 329845875 YBJUSPRQEHWFDF-USXIJHARSA-N 298.386 2.711 30 50 CFEA CCn1cc(CN2CCC([C@H](C)N(C)C)CC2)cc1C#N 77437730 SLHFENXHGTWTRD-AWEZNQCLSA-N 288.439 2.542 30 50 CFEA Oc1ccccc1/C=N/[C@@H]1[C@H]2CCO[C@H]2C12CCC2 245550355 OOYCAKQTKVZJBL-CQLJRNNQSA-N 257.333 2.769 30 50 CFEA Cn1cc(C#N)cc1C(=O)Nc1ccc2nc(S)oc2c1 160753415 QZOXQKJXQGUICT-UHFFFAOYSA-N 298.327 2.579 30 50 CFEA Cc1ccnc(NC[C@H]2CCN(C[C@@H](C#N)CCC#N)C2)c1 222204817 YTGQHSYKEPFQBF-HZPDHXFCSA-N 297.406 2.567 30 50 CFEA Cc1ccc(/C(N)=N/OC(=O)/C=C/c2ccccc2)cc1 18172980 YBYUBGJBSDTYAN-FMIVXFBMSA-N 280.327 2.872 30 50 CFEA Cc1c(F)ccc(I)c1C#N 1857783166 WBSRMZJGXRZBEA-UHFFFAOYSA-N 261.037 2.610 30 50 CFEA C=CC[C@]1(CO)CCCN(c2cc(C3CC3)ncn2)C1 91645544 KSDZIKPMVFCEED-INIZCTEOSA-N 273.380 2.509 30 50 CFEA C=CC[C@H](C)N[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 245846670 DYNBLDCLXZKETH-RWMBFGLXSA-N 268.401 2.986 30 50 CFEA Cc1cc(N2CCC[C@@H](Cn3ccnc3)C2)nc(C)c1C#N 2356152474 LBPRGSZEBLAUTF-HNNXBMFYSA-N 295.390 2.683 30 50 CFEA Cc1[nH]nc(C(F)(F)C(F)(F)C(F)(F)F)c1[N+](=O)[O-] 4243156 UOFISFKBSXJEHZ-UHFFFAOYSA-N 295.114 2.916 30 50 CFEA COc1ccc(C2=C(N)c3ccccc3C2=O)cc1OC 2504489 VDJSBWQHTJMGPC-UHFFFAOYSA-N 281.311 2.727 30 50 CFEA C=C/C(O)=N/CCC(=O)N1c2ccccc2CC[C@H]1C 328599481 SGXZMCUNMZZCEA-GFCCVEGCSA-N 272.348 2.887 30 50 CFEA C#CCOc1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1 198567729 URDMKFAPEKSQDV-UHFFFAOYSA-N 280.279 2.628 30 50 CFEA C=C(CC)C(=O)NCCc1cn(C)c2ccccc12 952992288 DFONXKNYCRPLFU-UHFFFAOYSA-N 256.349 2.803 30 50 CFEA C#CCn1cc(Nc2ncncc2-c2ccccc2)cn1 1875309323 HVBJLVHDCULTAE-UHFFFAOYSA-N 275.315 2.717 30 50 CFEA Cc1nc(N(C)CCC#N)ccc1Br 223872166 DNPYGFUQQSGWOC-UHFFFAOYSA-N 254.131 2.502 30 50 CFEA COc1ccc(N/C(S)=N\Cc2cccnc2)cc1 13556167 QPSIXHFJPXAXBU-UHFFFAOYSA-N 273.361 2.988 30 50 CFEA COc1cc(Cl)ccc1C(=O)N1CCC[C@@H](C#N)C1 79825633 AEKCWWZEHAKHSB-JTQLQIEISA-N 278.739 2.724 30 50 CFEA N#CC1(CN(Cc2cccc(O)c2)CC2CC2)CC1 343317614 DOJKRBQYXMVHRB-UHFFFAOYSA-N 256.349 2.908 30 50 CFEA N#Cc1ccc(Oc2ncc(Br)cn2)cc1 1497334 MNHXPHIQLKAJOP-UHFFFAOYSA-N 276.093 2.903 30 50 CFEA O=C(O)[C@H](/N=C\c1ccccc1O)c1ccccc1 104211132 ARFOXNLXIVCEMA-KWZJRMENSA-N 255.273 2.637 30 50 CFEA COC(=O)[C@@]1(F)CC=C(B2OC(C)(C)C(C)(C)O2)CC1 218376847 MLQPANZPCLFLHR-CQSZACIVSA-N 284.136 2.609 30 50 CFEA C=C1C[C@H]1C(=O)NCCc1ccc(OC(C)C)cc1 606445400 DHJPYBVZMQXVJM-OAHLLOKOSA-N 259.349 2.709 30 50 CFEA C=CCOc1ccc(CN2CCC[C@H](OC)C2)cc1 91772216 QWSSDMCOOBAPQN-INIZCTEOSA-N 261.365 2.862 30 50 CFEA C[C@@H]1C2=C([C@H]3C=C[C@H]2C3)[C@H](C)[C@@H]2C(=O)C=CC(=O)[C@@H]12 254745519 HOXQAINAQSRQIE-KMODBWIQSA-N 254.329 2.715 30 50 CFEA C#CCCC1(CCC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)N=N1 952882522 UZJBIRXQURDHKT-HYVNUMGLSA-N 293.370 2.797 30 50 CFEA N#C[C@@H]1CSCCN1C(=O)c1ccc(Cl)cc1F 271784800 ZURVAADIBJGYJE-SECBINFHSA-N 284.743 2.560 30 50 CFEA N#CC1(c2ccc(CN3CC[C@@](F)(C#N)C3)cc2)CC1 597110082 JKHZNWYWKXCJSI-MRXNPFEDSA-N 269.323 2.679 30 50 CFEA Oc1ccccc1/C=N/NC(=S)Nc1ccc(F)cc1 365966 OVCWJVRHOUKGII-CXUHLZMHSA-N 289.335 2.852 30 50 CFEA N#Cc1cccc([C@@H]2CN(CCC3CC3)CCO2)c1 341800804 SXCDYYADJSYWNV-INIZCTEOSA-N 256.349 2.732 30 50 CFEA C=CC[C@]1(CO)CCCN(CCOCc2ccccc2)C1 219551642 SPJXWYHKIUOYAH-SFHVURJKSA-N 289.419 2.854 30 50 CFEA CCc1nc(C)sc1CN=c1cc(C)c(C#N)c(C)[nH]1 2356137416 XFVBSKDPPSQEGU-UHFFFAOYSA-N 286.404 2.931 30 50 CFEA CN(C)c1ccc([C@@H](C#N)c2ccc(Cl)cc2)nn1 1401094 ZLEPGYIWIDKQFE-LBPRGKRZSA-N 272.739 2.851 30 50 CFEA CC(=O)Nc1cccc(C(=O)/C=C/c2ccncc2)c1 25665856 INEGOWIIXPQBQH-AATRIKPKSA-N 266.300 2.936 30 50 CFEA COc1cccc([C@@H]2Nc3ccccc3C(=O)N2O)c1 374744 BRVSWDGLHOBBKR-CQSZACIVSA-N 270.288 2.651 30 50 CFEA Cc1cccc(C[C@@H](C)NC(=O)c2ccccc2C#N)n1 223029293 CBYOXCKZFBYHIU-CYBMUJFWSA-N 279.343 2.623 30 50 CFEA CC#CC(=O)N(CCc1ccccn1)[C@@H]1CCC[C@@H]1C 1875369737 DQHHYYLXRQIGFV-GOEBONIOSA-N 270.376 2.665 30 50 CFEA CC1(C)OB(c2cc3ccnc(Cl)c3[nH]2)OC1(C)C 169935535 AUILFKILUDUEJP-UHFFFAOYSA-N 278.548 2.516 30 50 CFEA in-vitro Cc1cc(O)c(C(=O)/C=C/c2ccc(N(C)C)cc2)c(=O)o1 100081270 RIOOISYOISHLGS-RMKNXTFCSA-N 299.326 2.616 30 50 CFEA CCCCC/C(C)=N/NS(=O)(=O)c1ccccc1 43763561 FZSQQAURKCTZCL-WYMLVPIESA-N 268.382 2.921 30 50 CFEA CCc1noc(CC)c1CNc1nc(C)ccc1C#N 161795450 VHBDONPWDMGEHF-UHFFFAOYSA-N 270.336 2.987 30 50 CFEA N#Cc1c(Br)cc(C(=O)O)cc1C(F)F 263623385 GYZCWSVPIUNFBJ-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA C=CC[C@@H](CN(C)Cc1nncn1C)c1ccccc1 952883289 VTRSOIPNWCSANT-HNNXBMFYSA-N 270.380 2.607 30 50 CFEA Cc1nn([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1C#N 408230799 IZRZMLBMHDTWIG-NDPMZMCLSA-N 288.395 2.565 30 50 CFEA CC(C)(C)C[C@@H](Nc1ncc(C#N)c(N)n1)c1cccnc1 1506426683 UPSVFLROSGBHIT-CYBMUJFWSA-N 296.378 2.915 30 50 CFEA CN(C)/C=C/C(=O)c1ccc(Br)s1 125145 BBLJXHPQUXMDFA-AATRIKPKSA-N 260.156 2.769 30 50 CFEA CC(C)Sc1ccccc1C(=O)N(CC#N)CC#N 12865241 MLAJEGXRCJSSQG-UHFFFAOYSA-N 273.361 2.676 30 50 CFEA COc1ccc(/C=C/C(=O)c2ccccn2)cc1OC 4834607 SHLVTYKREZOGJB-SOFGYWHQSA-N 269.300 2.995 30 50 CFEA Cc1ccc(C#N)c(N2CC[C@@H](c3ccncc3)C2)n1 599103567 UVGQHNKAZMYIBZ-OAHLLOKOSA-N 264.332 2.651 30 50 CFEA N/C(=N\OC(=O)/C=C/c1ccccc1)c1ccccc1 18123318 BMMPZWHPWPTZSM-VAWYXSNFSA-N 266.300 2.564 30 50 CFEA C[C@@H]1CC[C@@H]2CNC(=NCC3CC4(C3)CC43CC3)N2C1 2325864110 HCFIKYRGLMEPAU-SMOJQAGNSA-N 273.424 2.626 30 50 CFEA C[C@@H]1CC[C@@H](C)N1CC(O)=Nc1c[nH]nc1-c1ccccn1 329155931 BUUCWYKBHRDVJF-VXGBXAGGSA-N 299.378 2.933 30 50 CFEA C=C(Cl)C[C@@H](CO)OCc1ccc(OC)cc1 43199211 ATJJMGHUFKMBOZ-ZDUSSCGKSA-N 256.729 2.715 30 50 CFEA C[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)n1cnc2ccccc21 267953493 CANDXBKKNPTQFI-SMDDNHRTSA-N 284.363 2.652 30 50 CFEA CC#CC(=O)N[C@@H](C)c1ccc2nc(C3CC3)[nH]c2c1 1875367481 GUTYIOHSFWQFAY-JTQLQIEISA-N 267.332 2.641 30 50 CFEA CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C=O)C1 1535643966 QNEYXVJYAYFOKG-NSHDSACASA-N 253.342 2.613 30 50 CFEA CC1(C)OB(C2CCC3(CC2)OCCO3)OC1(C)C 169747419 JAEUAPKITKWJML-UHFFFAOYSA-N 268.162 2.766 30 50 CFEA O/C(=N/CCn1cnnc1C1CC1)[C@H]1CC12CCCC2 329997283 QGDYELZVGNGVCS-GFCCVEGCSA-N 274.368 2.692 30 50 CFEA C=CCN1CCN(C(=O)[C@@H](CC)CCCC)CC1 20582185 SUBDPHSKQRXDCG-AWEZNQCLSA-N 252.402 2.533 30 50 CFEA N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3CCc4ccccc4[C@H]32)[nH]1 151724566 RGDLECFYKSJBIO-BFYDXBDKSA-N 291.354 2.592 30 50 CFEA CC(C)=NOC(=O)NC(C(F)(F)F)C(F)(F)F 4269792 BSCKUHYFDKAHPY-UHFFFAOYSA-N 266.141 2.602 30 50 CFEA biogenic Cc1ccc(OCCc2cnc3c(C#N)cnn3c2)cc1C 92061703 DFFZEOWGXSEEJL-UHFFFAOYSA-N 292.342 2.839 30 50 CFEA C#CCCC1(CCC(=O)N2C[C@H]3CCCC[C@H]3C2)N=N1 952883264 SPZVODILIQKMKP-OKILXGFUSA-N 273.380 2.991 30 50 CFEA CC1(C)OB(c2cc(Cl)ccc2F)OC1(C)C 169747262 BFXSWDUFRGWPCA-UHFFFAOYSA-N 256.513 2.778 30 50 CFEA in-vitro N#Cc1ncn(Cc2ncc(-c3ccccc3)s2)c1C#N 170081805 QGKBTRSZTDLSSA-UHFFFAOYSA-N 291.339 2.798 30 50 CFEA CCCCCOCC(=O)Nc1cc(OC)c(C#N)cc1F 585127810 JUXZPFDULFFFRD-UHFFFAOYSA-N 294.326 2.851 30 50 CFEA O=C(C#Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 275256 QXLGFYFNZFZJOE-UHFFFAOYSA-N 251.241 2.829 30 50 CFEA C=CCc1cccc(/C=C2\SC(=S)NC2=O)c1O 3159084 CKTLSDZDNUXODW-YFHOEESVSA-N 277.370 2.610 30 50 CFEA C/C(=N\N=C1/CCCCCN1)c1cccc([N+](=O)[O-])c1 5494492 FNYZDBGHBIVLQG-LFIBNONCSA-N 274.324 2.881 30 50 CFEA N#Cc1ccc(C(=O)Nc2ccc(Cl)cn2)c(F)c1 4841197 OVCSVNIVTWIAAA-UHFFFAOYSA-N 275.670 2.998 30 50 CFEA N#Cc1nc(-c2ccccc2)oc1NC[C@H]1CCCO1 70919 LMUOYJPSHDSLAW-GFCCVEGCSA-N 269.304 2.804 30 50 CFEA CC(C)N(CC(=O)[C@@H](C#N)c1ccccc1)C(C)C 4866151 KEYYXIFFPJOMAW-HNNXBMFYSA-N 258.365 2.982 30 50 CFEA C=CCNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 20102916 DAAYJLRYCONFGU-UHFFFAOYSA-N 272.392 2.509 30 50 CFEA N#C[C@@H]1CC[C@H](NC[C@@H](c2ccco2)N2CCCC2)C1 442632250 ZYEBFQMOABMMNW-ILXRZTDVSA-N 273.380 2.698 30 50 CFEA N#CCC(=O)N1CC[C@H](Cc2cccc(Cl)c2)C1 368373370 DBKQAMWENDLPKA-GFCCVEGCSA-N 262.740 2.645 30 50 CFEA C#CCCCCCOC(=O)CCC(=O)c1cccnc1 585136077 PBYSIANMQWBUIB-UHFFFAOYSA-N 273.332 2.781 30 50 CFEA Cc1cc(C#N)ccc1-c1nnc([C@@H]2CCCOC2)o1 952823675 ARCOZWKYLDTDOT-GFCCVEGCSA-N 269.304 2.811 30 50 CFEA COCC[C@H]1CCCCN(c2cccnc2C#N)C1 377982368 GORUMOIDPFJQLF-CYBMUJFWSA-N 259.353 2.596 30 50 CFEA C[C@@H](C#N)CNC(=O)N1Cc2ccccc2OC(C)(C)C1 334491311 VGKNRMDGZOYAMW-LBPRGKRZSA-N 287.363 2.529 30 50 CFEA CC#CC(=O)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 844008280 FTZORTVYDDJWCE-OLZOCXBDSA-N 281.359 2.729 30 50 CFEA CC1(C)OB(C#CCCO[C@H]2CCCCO2)OC1(C)C 1857785011 DHSJIWYEPZRBMJ-ZDUSSCGKSA-N 280.173 2.555 30 50 CFEA O=C(C#Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 466593 YBONEMWOTSDHME-UHFFFAOYSA-N 251.241 2.829 30 50 CFEA COCCNc1oc(-c2ccccc2Cl)nc1C#N 2196370 PCCIQIJBVZASKC-UHFFFAOYSA-N 277.711 2.925 30 50 CFEA N#Cc1cccc(NC(=O)C[n+]2ccc3ccccc3c2)c1 2544862 BNHASJADPGQZPP-UHFFFAOYSA-O 288.330 2.638 30 50 CFEA C=CCn1cc(CN(C)CC[C@@H](O)c2ccccc2)c(C)n1 55386803 IDISSWRUKPPPMK-GOSISDBHSA-N 299.418 2.933 30 50 CFEA Cc1cccc([C@@H](C)NC(=O)C2(C#N)CCOCC2)c1C 115285227 JDPLGWONIUSKNR-CQSZACIVSA-N 286.375 2.801 30 50 CFEA C=CCN(Cc1cccc(OCC)c1)C(=O)c1ccon1 55253086 WHXVIZYACHRBFR-UHFFFAOYSA-N 286.331 2.902 30 50 CFEA COC(=O)c1sccc1NC(=O)c1ccc(C#N)cc1 82708 UHCINAHYVLKPIH-UHFFFAOYSA-N 286.312 2.659 30 50 CFEA CCCNC(=O)c1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 442709930 BLRNGNLTLUBATP-BBRMVZONSA-N 285.391 2.608 30 50 CFEA CC[C@H](NC(=O)c1ccc(C#N)cc1)c1cccnc1 223383167 VUWBRDZEEYKCBM-HNNXBMFYSA-N 265.316 2.834 30 50 CFEA COc1cc(/C=N/OCCF)cc(Cl)c1OC 1875309976 WURPCBRNRTVACG-VGOFMYFVSA-N 261.680 2.677 30 50 CFEA N#Cc1ccc(F)c(CNC(=O)c2c[nH]c3ncccc23)c1 361887102 CGDYMTQUJTYQDC-UHFFFAOYSA-N 294.289 2.504 30 50 CFEA C=CCn1c([C@@H](CC)CC(C)(C)O)n[nH]c1=S 1256226 XTNUQFPJPWKBNJ-VIFPVBQESA-N 255.387 2.781 30 50 CFEA CCO/C(=C/C(=O)C(F)(F)F)NC1CCCCC1 79387641 BQZXRXLTZFSYIH-DHZHZOJOSA-N 265.275 2.918 30 50 CFEA N#Cc1cccnc1SCC(=O)Nc1ccccc1 7051367 YLJWOHRWFONEAD-UHFFFAOYSA-N 269.329 2.684 30 50 CFEA O=[N+]([O-])c1ccc(Oc2ccc(/C=N/O)cc2)nc1 100191505 ZUGNZWOOATZCJI-VGOFMYFVSA-N 259.221 2.590 30 50 CFEA O=C1ON=C(c2ccccc2)/C1=C\c1cccc(O)c1 108018 QRIMOOMSIWIDRG-GXDHUFHOSA-N 265.268 2.737 30 50 CFEA N#Cc1ccc(C(=O)N2CCOC[C@@H](C3CCC3)C2)s1 329233975 MKNBJFVTCVORFT-LBPRGKRZSA-N 290.388 2.508 30 50 CFEA N#Cc1cc(Br)c(C(=O)O)cc1C(F)F 263625351 ZCZDTSSWSXANMP-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA CCOc1cc(C#N)ccc1OC[C@H]1C[N@]1CC(C)C 1875382076 PVGSBWKTZAVZLG-KDOFPFPSSA-N 274.364 2.676 30 50 CFEA C=CCN(CC=C)CC1CN(C(=O)OC(C)(C)C)C1 170601579 QAGCGXRCZHWYMO-UHFFFAOYSA-N 266.385 2.527 30 50 CFEA CCc1nc(C#N)cc(N2CCOc3ccccc3[C@@H]2C)n1 585098372 PWLSLGSXWVIVBE-LBPRGKRZSA-N 294.358 2.871 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N[C@H](CC(=O)OCC)C(F)(F)F 585113574 AOLHAYIDLBLYHP-NXEZZACHSA-N 295.301 2.589 30 50 CFEA C#Cc1cncc(-c2noc(C3(C#N)CCCCC3)n2)c1 585120627 YJHOQZJRCODLSW-UHFFFAOYSA-N 278.315 2.838 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1CCc2ccc(OC)nc21 411041674 CCUYVUHSHRRXPV-NSHDSACASA-N 260.337 2.582 30 50 CFEA CC(C)[C@@]1(CO)CCN(c2ccc(F)cc2C#N)C1 336183171 DOELAODVPWHEFZ-HNNXBMFYSA-N 262.328 2.542 30 50 CFEA C[S@@](=O)C1(CNc2cc(Cl)ccc2C#N)CCC1 253432069 IRIIKNWPYQHGGF-GOSISDBHSA-N 282.796 2.925 30 50 CFEA CO[C@H](/C=N/N=c1[nH]c2ccncc2s1)C1CCCC1 2325760480 YYIYSIGYNINDBQ-GGNJANJASA-N 290.392 2.716 30 50 CFEA CC1(C)C2CCC1(NC(=O)C#C[C@@]1(C)CCCO1)CC2 2325781407 NFOQCNGERRSHGK-BLDCVEFLSA-N 275.392 2.644 30 50 CFEA CN(C)CCCNc1oc(-c2ccccc2)nc1C#N 4144102 AACRTFVHFCAWQM-UHFFFAOYSA-N 270.336 2.577 30 50 CFEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)C1(Cn2cccn2)CC1 71747954 PITCXAOBLNCBIR-HUUCEWRRSA-N 285.391 2.785 30 50 CFEA CC(C)(C)[C@H]1OCC[C@@H]1C/N=C(/O)COc1cccnc1 328611259 KYHJMBHKMUMLHQ-DOMZBBRYSA-N 292.379 2.868 30 50 CFEA N#CC1(C(=O)NOCc2ccc(C(F)(F)F)cc2)CCC1 155805695 RMZMRGVFHYPVMJ-UHFFFAOYSA-N 298.264 2.947 30 50 CFEA N#Cc1nccnc1NC[C@H]1CC[C@H](c2ccccc2)O1 367933883 DDUIBBALGKLYSR-UKRRQHHQSA-N 280.331 2.680 30 50 CFEA CC(C)c1ccc(C#N)c(N2CCO[C@@H](C3CC3)C2)n1 826786558 NSSRJKGZYGXBGY-OAHLLOKOSA-N 271.364 2.692 30 50 CFEA C=CCn1c(CNC)nnc1SCc1cccc(F)c1 820505826 QYSQTTNQSPDBLX-UHFFFAOYSA-N 292.383 2.615 30 50 CFEA CC1(C)OB(COCC[Si](C)(C)C)OC1(C)C 675050482 KPNQQRNPZLDLQN-UHFFFAOYSA-N 258.243 2.973 30 50 CFEA C#CCN(C)C/C=C/C(=O)N1CCC[C@H]1c1cccs1 1875387515 LPERWOWKWPBZAO-KVEVGEHQSA-N 288.416 2.533 30 50 CFEA CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccoc1)c1ccccc1 191820819 KGRCIRULSQSBSV-CABCVRRESA-N 296.326 2.870 30 50 CFEA N#Cc1ccc2c(c1)NC(=O)/C2=C\c1cccc2nccn12 773161106 PKEMIURTJNHLCH-ZROIWOOFSA-N 286.294 2.699 30 50 CFEA Cn1nc(B2OC(C)(C)C(C)(C)O2)c2ccc(Cl)cc21 169988717 TZBSRLSNPJYTAP-UHFFFAOYSA-N 292.575 2.526 30 50 CFEA O=C(N=C1CCON1)N1CCC[C@H]1c1cc(F)ccc1F 2325807906 FSGGYRNPUKUTAN-LBPRGKRZSA-N 295.289 2.545 30 50 CFEA C=C(C)COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 6745139 QJFVALHRYDEUQM-HNNXBMFYSA-N 275.348 2.550 30 50 CFEA CC(=O)SCC/C(O)=N/[C@H]1CCOC(C)(C)C1 328592833 HLQSMZWIIVJDAM-JTQLQIEISA-N 259.371 2.570 30 50 CFEA C=CCOc1ccc(Cl)cc1CN1CC[C@@H](CN)C1 67947608 LKZILSQALKEWMJ-LBPRGKRZSA-N 280.799 2.685 30 50 CFEA C[C@@H](Oc1ccccc1Cl)C(=O)/C=C/N(C)C 1404170 PVYUPSAWIDEYPA-AAXQSMANSA-N 253.729 2.752 30 50 CFEA CC1(C#N)CCN(C[C@@]2(c3ccccc3)CCOC2)CC1 215259388 CTIZZYBIFJTJQF-SFHVURJKSA-N 284.403 2.970 30 50 CFEA CCc1nnc(/N=C(\O)[C@H](C)N2CCC[C@H](C)C2)s1 36247469 JTHPBHCPLODYQJ-UWVGGRQHSA-N 282.413 2.809 30 50 CFEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(C(C)C)cn1 291134503 VUXITUNHZWKYJT-GOEBONIOSA-N 288.391 2.916 30 50 CFEA N#CCc1ncc(Br)cc1C(F)(F)F 228757635 RQLVOHJAXVSSAK-UHFFFAOYSA-N 265.032 2.929 30 50 CFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(C(C)C)cn1 291134521 VUXITUNHZWKYJT-ZBFHGGJFSA-N 288.391 2.916 30 50 CFEA N#Cc1ccc2c(I)c[nH]c2c1 144743325 MVMWRYCNOUKJSF-UHFFFAOYSA-N 268.057 2.644 30 50 CFEA c1cc(-c2ncc3n2CCCC3)ccc1OC[C@H]1CO1 1875390094 WUVVSHWORGUKNR-HNNXBMFYSA-N 270.332 2.664 30 50 CFEA Cc1ccnc2[nH]c([C@H](C#N)C(=O)[C@H](C)C(C)C)nc12 750723378 IQFBGCCZNXNMIX-GHMZBOCLSA-N 270.336 2.735 30 50 CFEA C=CCN(CC=C)c1cc(NC(C)=O)ccc1OC 404202 GGUYNLUBFGZIKN-UHFFFAOYSA-N 260.337 2.832 30 50 CFEA in-vitro O=C(/C=C/Nc1cccc([N+](=O)[O-])c1)c1ccco1 438881 OCWNJXVOJDNKRF-VOTSOKGWSA-N 258.233 2.996 30 50 CFEA Cc1ccc([C@@H]2CCN(c3cnc(C#N)cn3)C2)c(C)c1 253428730 DTXPVZANLCIAAW-CQSZACIVSA-N 278.359 2.959 30 50 CFEA C=C[C@](C)(O)C(=O)Nc1cc(Cl)cc(Cl)c1 4655059 FBYYIBNYONAZCU-NSHDSACASA-N 260.120 2.869 30 50 CFEA biogenic,in-vitro C=CCOc1ccc(C(=O)Nc2ccncc2)cc1 4841982 AMWILGRERKBVTG-UHFFFAOYSA-N 254.289 2.899 30 50 CFEA C=CC[C@@H](CC)NC(=O)NCc1cccc(C#N)c1 281110120 ZCDMTBASFXLHCA-CQSZACIVSA-N 257.337 2.712 30 50 CFEA Cn1cc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H]3C2)cc1C#N 71751351 ZEXULXWVGJNHNZ-ZJUUUORDSA-N 289.342 2.777 30 50 CFEA COc1cc(OC)c(CNc2ccc(C#N)nc2)c(OC)c1 267445321 ZPVUHDDVXDIBFU-UHFFFAOYSA-N 299.330 2.591 30 50 CFEA O=C(/C=C/c1ccccc1)c1c(O)cc(O)cc1O 4175443 LOYXTWZXLWHMBX-VOTSOKGWSA-N 256.257 2.700 30 50 CFEA biogenic,in-vitro Cc1cccc(-c2nnc(S)n2/N=C/c2cccnc2)c1 5981748 YDLSMCFUZSWRRC-LICLKQGHSA-N 295.371 2.819 30 50 CFEA N#Cc1cc(N2CCSC2)ccc1Br 169725814 RVCQWAPJMNSGPF-UHFFFAOYSA-N 269.167 2.831 30 50 CFEA N#CC1(C#N)C(c2ccccc2Cl)C1(C#N)C#N 137880 RORFVGLPTNZPCI-UHFFFAOYSA-N 252.664 2.504 30 50 CFEA C=C(C)COc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 6746134 PNPLHUWVTVEYRN-KBPBESRZSA-N 289.375 2.891 30 50 CFEA O=C1O[C@]2(OC=C(c3ccccc3)C2=O)c2ccccc21 119874 ZFKJVJIDPQDDFY-QGZVFWFLSA-N 278.263 2.650 30 50 CFEA biogenic,in-vitro Cc1cscc1N/C(O)=N/[C@H]1CCn2ccnc2C1 330234431 GJYCNTUAEGPHKZ-JTQLQIEISA-N 276.365 2.594 30 50 CFEA N#Cc1cc2cccnc2nc1N1CC[C@@H]1[C@@H]1CCCOC1 1775296199 KYCXNDNDRVHJNG-UKRRQHHQSA-N 294.358 2.507 30 50 CFEA C#CCOc1ccc(CN(C)Cc2ccncc2)cc1 170594878 FOSNZIINJJBYKZ-UHFFFAOYSA-N 266.344 2.726 30 50 CFEA Fc1ccc(-c2ccc(/C=N\n3cnnc3)o2)c(F)c1 453725 OGAGDLGOPBIWQS-FXBPXSCXSA-N 274.230 2.699 30 50 CFEA Cc1cc[n+](CC(=O)Nc2ccccc2Cl)cc1 5793406 LWKROYJDUZXHRE-UHFFFAOYSA-O 261.732 2.575 30 50 CFEA CC1(C)OB(c2cc(C(F)(F)F)ccc2O)OC1(C)C 169993778 BOSFAXKLICWRSZ-UHFFFAOYSA-N 288.074 2.710 30 50 CFEA N#Cc1cc(Cl)ccc1-n1cc(-c2ccncc2F)nn1 2325818286 IYUXILADCVTLQU-UHFFFAOYSA-N 299.696 2.993 30 50 CFEA C=C(Br)Cn1c([C@H](C)O)nc2ccccc21 4032374 LUUKBIUTMYDFOX-VIFPVBQESA-N 281.153 2.998 30 50 CFEA Cc1ccc(C(=O)/C=C/Nc2ccccc2C(N)=O)cc1 8680879 BLTYUXUZXKIRHQ-ZHACJKMWSA-N 280.327 2.902 30 50 CFEA C=C(C)CNC(=O)Nc1cc(F)c(OC)cc1OC 157570002 USCKYQNUFVKIFK-UHFFFAOYSA-N 268.288 2.541 30 50 CFEA C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)CCN(C)C 96026447 KGGNONFDGUQYEY-ZHACJKMWSA-N 262.309 2.519 30 50 CFEA CCn1cc(CN2CCOc3ccccc3C2)cc1C#N 670440242 YAMBSGHTKZBYER-UHFFFAOYSA-N 281.359 2.774 30 50 CFEA Cc1cccc2c1OCC[C@H]2Nc1cncc(C#N)n1 572949783 CVVZZHQYZDVPCO-CYBMUJFWSA-N 266.304 2.592 30 50 CFEA CC(=O)/C=C/c1c(C)n(C)c2ccc([N+](=O)[O-])cc12 242494 XLVIGEBFCJZSCX-GQCTYLIASA-N 258.277 2.997 30 50 CFEA O=S(=O)(N/N=C/c1ccccc1)c1ccc(Cl)cc1 291460 JQRNBGABVOAGFV-XNTDXEJSSA-N 294.763 2.652 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1CCc1ccccc1F 14960152 SHXZYNVGLUKWIC-OAHLLOKOSA-N 290.382 2.525 30 50 CFEA N#Cc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1 9996291 JWCSDNODLHVROS-UHFFFAOYSA-N 291.354 2.555 30 50 CFEA COc1ccc2ncc(C#N)c(OCC3CC3)c2c1 593442810 GPFJRLHCSKOCMP-UHFFFAOYSA-N 254.289 2.904 30 50 CFEA C=C(C)Cn1c(CCNC(=O)C(C)C)nc2ccccc21 560833 XPJWRZBIZQIYKQ-UHFFFAOYSA-N 285.391 2.927 30 50 CFEA C[C@@H]1C/C(=C/c2ccnn2C)C(=O)/C(=C/c2ccnn2C)C1 248534769 WHHIFRJLSBCQDD-TYTLWMJMSA-N 296.374 2.620 30 50 CFEA N#C[C@@H]1C(=S)N=C(c2cccnc2)C=C1C(F)(F)F 39334924 HGWBCCRKWRHIIS-QMMMGPOBSA-N 281.262 2.840 30 50 CFEA C=CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1 4593942 FXENPOYVBWAQNF-CQSZACIVSA-N 297.354 2.862 30 50 CFEA C#CCCC1(CCC(=O)NC[C@H]2CCC(F)(F)C2)N=N1 952882471 MNJHMTNRYSDTAB-NSHDSACASA-N 283.322 2.894 30 50 CFEA CC[C@@H](c1ccccn1)N(C)C(=O)c1cc(C#N)cn1C 952970544 KWKWGNZUNNQKHN-AWEZNQCLSA-N 282.347 2.515 30 50 CFEA CC[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccc(C#N)cc1 277210902 KIUBWJGFLVRDEY-JKSUJKDBSA-N 286.375 2.722 30 50 CFEA CCOCc1cccc(Nc2cncc(C#N)n2)c1 1611918275 SRILIMCMRFBDMY-UHFFFAOYSA-N 254.293 2.628 30 50 CFEA Cc1cc[n+](CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 5681162 GOHJGKYKYDMZGP-UHFFFAOYSA-O 295.284 2.940 30 50 CFEA C=C(Br)CNc1cc(C#N)sc1[N+](=O)[O-] 407122714 SXYJFNBAUWPRAT-UHFFFAOYSA-N 288.126 2.848 30 50 CFEA O=C1NCCc2c1[nH]c1ccc(C#Cc3ccccc3)cc21 290469 FSHXEFVJCXEHJR-UHFFFAOYSA-N 286.334 2.854 30 50 CFEA biogenic O=C1C(=CNCCc2ccccc2)C(=O)c2ccccc21 100499754 JRKZUMVIJIINCU-UHFFFAOYSA-N 277.323 2.782 30 50 CFEA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)cn1 253392816 HJXHSVZJNQVVNW-CABCVRRESA-N 291.358 2.511 30 50 CFEA Cc1ccc2[nH]cc(B3OC(C)(C)C(C)(C)O3)c2c1 206173415 GEPFGUCBKQSTDM-UHFFFAOYSA-N 257.142 2.776 30 50 CFEA CCn1cnc2cc(C#N)cc(Br)c21 95496076 WMDXKBIOHZUJDY-UHFFFAOYSA-N 250.099 2.690 30 50 CFEA Cc1cccc(CCCNC(=O)N2CCC(C#N)CC2)c1 534648527 FPTXMHZNFSIHKU-UHFFFAOYSA-N 285.391 2.873 30 50 CFEA Cc1cc(C)nc(CN(C)Cc2c[nH]c(C#N)c2)c1 952971636 FNXZALIHZBVSDB-UHFFFAOYSA-N 254.337 2.530 30 50 CFEA CC1(C)OB(c2cccc3c2CCCC3)OC1(C)C 200536231 ZEQMAKMHBSNXHC-UHFFFAOYSA-N 258.170 2.865 30 50 CFEA CC1(C)OB(c2ccc(OCCN=[N+]=[N-])cc2)OC1(C)C 1260390048 BHSQQZROHZCKJW-UHFFFAOYSA-N 289.144 2.675 30 50 CFEA in-vitro COc1ccccc1OCC#CCNC1CCCC1 2862860 CGRSURUNIYDDEW-UHFFFAOYSA-N 259.349 2.610 30 50 CFEA Cc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 3405288 SYBORSXGOIGTII-UHFFFAOYSA-N 250.301 2.797 30 50 CFEA O=C(/C=C/c1cccnc1)c1cccc([N+](=O)[O-])c1 3998758 IAVPZCFQCMLATC-VOTSOKGWSA-N 254.245 2.886 30 50 CFEA Cc1nsc(NCCCN2CCC(C)CC2)c1C#N 225816261 QMSKPYFFOQOUFE-UHFFFAOYSA-N 278.425 2.857 30 50 CFEA Cc1nnc(Oc2ccc3c(c2)CCC3=O)c(C#N)c1C 239352657 ACXRUQJJHZXYNZ-UHFFFAOYSA-N 279.299 2.886 30 50 CFEA CCn1cc(-c2ccc(N3CCOCC3)cc2)cc1C#N 426545209 ZYHIGQJBZLGKAO-UHFFFAOYSA-N 281.359 2.883 30 50 CFEA CC[C@@](C)(O)C#CCN1CCCC[C@H]1c1cccnc1 248167155 PBBIQOCFTHAXMX-DLBZAZTESA-N 272.392 2.773 30 50 CFEA biogenic CCOc1cccc2[nH]cc(CC(=O)N[C@H](C#N)C3CC3)c12 189689388 YKLDZMRZGDSYSZ-CQSZACIVSA-N 297.358 2.527 30 50 CFEA Cc1ccc(-c2nnc(S)n2/N=C/c2ccccn2)cc1 5968896 QFCLTPNSVUFEOL-LICLKQGHSA-N 295.371 2.819 30 50 CFEA Cc1sc(C)c(B2OC(C)(C)C(C)(C)O2)c1C 169747686 HDZMOJWLMHUYBK-UHFFFAOYSA-N 252.188 2.973 30 50 CFEA Cc1c(C#N)c(N2[C@H]3CC[C@@H]2C[C@H](O)C3)nc2ccccc12 1857672505 FOKWQBPUSPWAJY-WDNDVIMCSA-N 293.370 2.907 30 50 CFEA C[C@@H]1C[C@H]1N1C[C@@H](Nc2c(Cl)cccc2C#N)CC1=O 610283022 ZIRKRSCWNBUJBP-SUZMYJTESA-N 289.766 2.633 30 50 CFEA C=C(C)COc1ccccc1C(=O)N1CCC[C@H]1COC 55269957 VOCLDPZAMMRSBA-AWEZNQCLSA-N 289.375 2.893 30 50 CFEA CC(O)=Nc1ccn([C@@H]2CCN(C3CCCC3)C2)n1 328625295 KQOAKJLFNUAKTP-CYBMUJFWSA-N 262.357 2.680 30 50 CFEA Cn1cc(I)c2cc(C#N)ccc21 217041803 UMUXRYAEBHEDGR-UHFFFAOYSA-N 282.084 2.655 30 50 CFEA CC1(C)OCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 223773323 BFRFZJXORRDJHY-UHFFFAOYSA-N 288.196 2.794 30 50 CFEA C=C[C@](C)(CC)C(=O)Nc1n[nH]cc1Br 298397646 NDSKZJNAZJUOKE-SNVBAGLBSA-N 272.146 2.713 30 50 CFEA C#CCCC1(CCC(=O)N2CCN(C)c3ccccc32)N=N1 952880510 BOEJEZDHWKSOHL-UHFFFAOYSA-N 296.374 2.825 30 50 CFEA CCOc1cc(Cl)ccc1C(=O)NC1(C#N)CCC1 170593144 CFMBNFQQFNTLBJ-UHFFFAOYSA-N 278.739 2.915 30 50 CFEA Cc1ccc(CN2CCC[C@H]2c2ccc(O)nn2)cc1C#N 599636627 NXIDFKFPVKAPCH-INIZCTEOSA-N 294.358 2.699 30 50 CFEA C#CCn1c([C@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 4386019 ATJVWNJPBUHQMK-ZDUSSCGKSA-N 295.386 2.784 30 50 CFEA Cc1nc(NCC23CCCN2CCC3)c(Cl)cc1C#N 292387539 DNTHLWPHBNKNPG-UHFFFAOYSA-N 290.798 2.955 30 50 CFEA CCN(CC)CC#CC1(OC(C)=O)CCCCC1 206924 NCRVLUJNKJFEKS-UHFFFAOYSA-N 251.370 2.598 30 50 CFEA COc1ccc2oc(=O)c(-c3csc(CC#N)n3)cc2c1 193097 NRJAHCNYOMSZOU-UHFFFAOYSA-N 298.323 2.991 30 50 CFEA COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C)cc1 3374747 AJJWGTFOFLUYRY-UHFFFAOYSA-N 296.326 2.893 30 50 CFEA Cc1ccc2c(c1)/C(=N/Nc1ccc([N+](=O)[O-])cc1)C(=O)N2 4962907 PVTDVIXJCHKTCU-UHFFFAOYSA-N 296.286 2.672 30 50 CFEA C=CCOc1ccccc1-c1nc(Cc2noc(C)n2)no1 252485554 GYRCAXJEHSDFNE-UHFFFAOYSA-N 298.302 2.584 30 50 CFEA CN(C(=O)c1ccccc1C#N)[C@H]1CCOC(C)(C)C1 222730465 WXQKJPQBRQJTAF-ZDUSSCGKSA-N 272.348 2.588 30 50 CFEA Cc1cc(N2CCC(c3ccn[nH]3)CC2)c(C#N)c(C)n1 160618235 PSOAQPGJHZDJRZ-UHFFFAOYSA-N 281.363 2.677 30 50 CFEA N#Cc1ccc(NC(=O)CCCN2CCC[C@@H](C#N)C2)cc1 244840262 UJZVJUDIIKMJKQ-HNNXBMFYSA-N 296.374 2.513 30 50 CFEA CSc1ccc(C(N)=NC(=O)c2ccccc2)cc1 824932985 NJQPRPKYMLELJL-UHFFFAOYSA-N 270.357 2.954 30 50 CFEA Cc1nnc(C)n1/N=C/c1cccc2ccccc12 5886365 NSUOHPSAKUZUFH-MHWRWJLKSA-N 250.305 2.930 30 50 CFEA CC1(C)CC(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 334315952 OCNJCUQDEVIZQH-INIZCTEOSA-N 298.386 2.894 30 50 CFEA C[C@@H](Nc1nc2ncccc2cc1C#N)C1(F)CC1 2325789789 MZLXPHNDRJMGLG-SECBINFHSA-N 256.284 2.804 30 50 CFEA Cn1cc[n+](CC(=O)c2ccc(Cl)c(Cl)c2)c1 1829201 WQWVNFAMCAIYFO-UHFFFAOYSA-N 270.139 2.502 30 50 CFEA O=C(/C=C/c1ccc2c(c1)OCO2)c1ccccn1 3995439 DCFJNYDTJPKYMC-GQCTYLIASA-N 253.257 2.706 30 50 CFEA COc1cc(OCC[C@@H]2CCCCO2)ccc1C#N 331238914 WCFVXVFKWHFDDM-ZDUSSCGKSA-N 261.321 2.905 30 50 CFEA CC#CCCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 156612243 AMBGZJQLNUHPMR-UHFFFAOYSA-N 288.366 2.890 30 50 CFEA CC1(C#N)CCN(CCC(=O)NC2CCCCCC2)CC1 826679658 JPKWXIZIRNWLIN-UHFFFAOYSA-N 291.439 2.841 30 50 CFEA CN1C=CC(=CC=C2C(=O)CC(C)(C)CC2=O)C=C1 685944681 ZYMLFOZFTRWYFP-UHFFFAOYSA-N 257.333 2.770 30 50 CFEA N#Cc1nccnc1N1CCc2cc(Cl)ccc2C1 302723077 NCMTWPRPLURBSC-UHFFFAOYSA-N 270.723 2.564 30 50 CFEA O=C(O)c1ccc(/N=C/c2ccc3c(c2)OCO3)cc1O 2155738 QKVMGJGXYOXWAF-FRKPEAEDSA-N 285.255 2.570 30 50 CFEA C=CC[C@H](CC)NC(=O)N[C@H](CC)[C@H]1CCCO1 252493670 NFDSRKQNNOMNCO-YNEHKIRRSA-N 254.374 2.598 30 50 CFEA CC1=CCC[C@@]23O[C@@H]2[C@@H](OC3=O)c2c(C)coc2C1 822218737 KBMSVODXFLAQNJ-GZBFAFLISA-N 260.289 2.606 30 50 CFEA biogenic,in-vitro C/C(=N\NC(N)=S)c1ccc(Cl)c(Cl)c1 3248 WLYQLQVFJXFMJD-WLRTZDKTSA-N 262.165 2.551 30 50 CFEA in-vivo COc1ccc(C(=O)ON=C2C(C)=CC(=O)C=C2C)cc1 265576 NRHRPNMGWUNWOO-UHFFFAOYSA-N 285.299 2.683 30 50 CFEA O=C(Nc1ccccc1)[C@@]12C[C@@H]1/C(=N\O)c1ccccc1O2 100058156 FPXPIEZPAXSELW-REIIWYCASA-N 294.310 2.655 30 50 CFEA in-vitro C[C@@]1(c2ccc(F)c(Br)c2)O[C@@H]1C#N 306389577 YUGZSRBBKDHUEF-ZJUUUORDSA-N 256.074 2.726 30 50 CFEA C#C[C@](C)(C=C)OC(=O)c1cnn(CC(C)C)c1C 252508085 XCHLSPSIMYUNLA-OAHLLOKOSA-N 260.337 2.582 30 50 CFEA C=CCN(CCC#N)c1ncnc2cc(F)c(OC)cc12 253429300 CHHVXXRKHWFDRZ-UHFFFAOYSA-N 286.310 2.684 30 50 CFEA N#C[C@@H]1C(=S)N=C(C(F)(F)F)C=C1C(F)(F)F 100555716 CAYGLJAVMDNQLH-VKHMYHEASA-N 272.173 2.959 30 50 CFEA COC(=O)[C@H]1CCN(c2c(Cl)cccc2C#N)C[C@@H]1C 277029216 ZQMCACZYFVRNBF-JQWIXIFHSA-N 292.766 2.847 30 50 CFEA C=CCCC(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(=O)OC 170611776 VIVPNWJHARPWNU-LSDHHAIUSA-N 287.359 2.858 30 50 CFEA N#Cc1ccc(N2CC[C@@](O)(C3CC3)C2)cc1Cl 335764147 HGHJIKRNBPKBIS-AWEZNQCLSA-N 262.740 2.563 30 50 CFEA CC[C@]12C[C@H]1CN(C(=O)c1cc(F)cc(C#N)c1)C2 1772808788 BEYCETXNSDKELG-SWLSCSKDSA-N 258.296 2.569 30 50 CFEA COc1ccc(/C=N\N2CCN(c3ccccc3)CC2)cc1 12420283 OGSGMPCTCSELMI-CYVLTUHYSA-N 295.386 2.851 30 50 CFEA N#Cc1ccc(F)c(CN2CCO[C@H]3CCCC[C@H]32)c1 230251131 UILXBXZJIOXLHD-CVEARBPZSA-N 274.339 2.841 30 50 CFEA C[C@H]1CC[C@@H](NC(=O)c2c[nH]nc2-c2cccc(C#N)c2)C1 2325797378 LJMKDRDYWIJUEN-SMDDNHRTSA-N 294.358 2.867 30 50 CFEA C[C@H]1CCCC[C@H]1NC=C1C(=O)CC(C)(C)CC1=O 100444518 TYKJFMGGRWEHEW-WCQYABFASA-N 263.381 2.997 30 50 CFEA CCCNC(=O)c1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 442709951 BLRNGNLTLUBATP-CJNGLKHVSA-N 285.391 2.608 30 50 CFEA N#Cc1ccc(C(=O)NC[C@@H]2[C@@H]3CCc4ccccc4[C@H]32)[nH]1 151724479 RGDLECFYKSJBIO-ZMSDIMECSA-N 291.354 2.592 30 50 CFEA CCn1c([C@@H](C)Nc2ccc(C#N)nn2)nc2ccccc21 162152227 HHAZUUOUNMUHOX-LLVKDONJSA-N 292.346 2.891 30 50 CFEA COC(=O)[C@H](C)Sc1ccc(C#N)cc1Cl 268220191 JCFBYDPBMPROAE-ZETCQYMHSA-N 255.726 2.865 30 50 CFEA CCCCCc1cc(C(=O)OCC)c(C#N)c(O)n1 675067568 IWYACKNFWIHTKH-UHFFFAOYSA-N 262.309 2.568 30 50 CFEA C=CCN1C(=O)c2ccccc2[C@@]1(O)c1ccc(F)cc1 210632 WKUVBTMSDFPEAH-KRWDZBQOSA-N 283.302 2.661 30 50 CFEA N#Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(F)c1 4857062 FJJUUJDTHOGEBP-UHFFFAOYSA-N 285.234 2.858 30 50 CFEA C=C(C)C(C)(C)C(=O)Nc1ccc2ncnc(O)c2c1 335069748 QKKFRHIACGJONA-UHFFFAOYSA-N 271.320 2.876 30 50 CFEA CC1=C(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCC1 545186326 IBXVFBKEWZSPCW-UHFFFAOYSA-N 293.330 2.578 30 50 CFEA C[C@H]1CC(C)(C)OB(c2ccc(Br)cc2)O1 169807010 PRUASQKAECKLGK-VIFPVBQESA-N 282.974 2.748 30 50 CFEA in-vitro Cn1c(S[C@H](C#N)C2CC2)nnc1-c1cccs1 585118801 CIEZTRUAJAOYML-SNVBAGLBSA-N 276.390 2.938 30 50 CFEA CCCC[C@@H]1C=CCN1C(=O)c1ccc(C#N)nc1 1505666771 NDTBNXRKRROAAX-CQSZACIVSA-N 255.321 2.524 30 50 CFEA C[C@@H]1CC=CC[C@H]1/C(O)=N/CC1(S(C)(=O)=O)CCC1 328861402 FHWDGAOWSWQMLY-VXGBXAGGSA-N 285.409 2.513 30 50 CFEA Cc1ccc(C(=O)N2CCC[C@H](C#N)C2)n1C(F)F 426409493 RZMHUMFYOMCFAO-SNVBAGLBSA-N 267.279 2.567 30 50 CFEA N#Cc1cccc(Cl)c1I 95642605 LRKGKRCXVFYLOP-UHFFFAOYSA-N 263.465 2.816 30 50 CFEA Cc1n[nH]c(C)c1CCCN(C)Cc1cc(C#N)n(C)c1C 670443559 ZKNCICQDMNYCGM-UHFFFAOYSA-N 299.422 2.610 30 50 CFEA C=CCOc1ccc(Cl)cc1CN(C)[C@H](C)CC(N)=O 952869641 XLHVOZIRYBMFQF-LLVKDONJSA-N 296.798 2.601 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1[C@@H](C)[C@H](C)N(C)C[C@H]1C 585090154 OPJYJKOGMKSITR-CRWXNKLISA-N 252.402 2.528 30 50 CFEA Cc1nn(C)c2c1c(=O)c(C#N)c1sc3ccccc3n12 1615615786 SOZYFXYKRBURLB-UHFFFAOYSA-N 294.339 2.581 30 50 CFEA C=C(C)COc1ccccc1C(=O)NCCOCCC 55308460 OKSHYKCHOAARIO-UHFFFAOYSA-N 277.364 2.798 30 50 CFEA CCCNC1=C(C(=O)CCC)C(=O)CC(C)(C)C1 100319150 NTSJDSGFOAPPHP-UHFFFAOYSA-N 251.370 2.998 30 50 CFEA biogenic N#Cc1nccn1Cc1cnc(Cl)cc1Cl 135627067 MYIHTLNCBSTSFE-UHFFFAOYSA-N 253.092 2.505 30 50 CFEA C=C(Br)CN[C@H](C)c1cccc(O)c1 162210213 WMSPXHQCMCWPKS-SECBINFHSA-N 256.143 2.951 30 50 CFEA CC[C@H](Nc1ncc(C#N)c(N)n1)c1nc(C)c(C)s1 1506402442 SFGPUXDTGVAMHL-JTQLQIEISA-N 288.380 2.567 30 50 CFEA CC(C)n1cc(NC(=O)c2ccccc2C#N)cn1 1529179954 HBNWBFPWFFLPNK-UHFFFAOYSA-N 254.293 2.588 30 50 CFEA C[C@H]1CC/C(=C\C=C\N(C)C)C(=O)/C1=C\C=C\N(C)C 16134077 FZWHTLJRASFMLX-NPDMNSRHSA-N 274.408 2.989 30 50 CFEA C=CCN1C(=O)c2ccccc2[C@]1(O)c1ccc(F)cc1 210633 WKUVBTMSDFPEAH-QGZVFWFLSA-N 283.302 2.661 30 50 CFEA N#CCc1ccc(NS(=O)(=O)c2cccs2)cc1 378911 ANESYUINXWMGMZ-UHFFFAOYSA-N 278.358 2.615 30 50 CFEA N#CCCS(=O)(=O)c1ccc(Cl)c(Cl)c1 2023273 XTFPHDYUFCETPN-UHFFFAOYSA-N 264.133 2.681 30 50 CFEA Fc1ccccc1/C=N/Nc1ncc(Br)cn1 4947052 HHSXIEVHRGDYSO-FZSIALSZSA-N 295.115 2.824 30 50 CFEA C/C(C#CC#C/C(C)=C(C)/C=C/C(=O)O)=C(C)\C=C\C(=O)O 22340817 WSIKQAKHFBXWID-UYFZKRQQSA-N 298.338 2.948 30 50 CFEA CC(C)Nc1ccc(/C(O)=N/[C@@H]2CCO[C@H]2C2CC2)cn1 328901657 ZIZNJZHIIJODIX-HIFRSBDPSA-N 289.379 2.774 30 50 CFEA C=C[C@@H](CC(=O)N[C@H]1CCC[C@H]1C(=O)O)c1ccccc1 262963339 RXTSGETVXKXPQJ-CFVMTHIKSA-N 287.359 2.716 30 50 CFEA N#CCN(C(=O)c1coc(CC2CC2)n1)C1CCCC1 170083069 KOEKDIVICBDHJU-UHFFFAOYSA-N 273.336 2.535 30 50 CFEA N#C[C@H](C(=O)c1cccnc1)c1cnc2ccccc2n1 170611867 QTADGMWQLZCUST-LBPRGKRZSA-N 274.283 2.515 30 50 CFEA Cc1cccc([C@H](C)S(=O)(=O)CCCC#N)c1 190929732 QLZXBYPKYUOGCR-LBPRGKRZSA-N 251.351 2.775 30 50 CFEA CC1(C)OB(c2ccc3c(c2)C(=O)CCC3)OC1(C)C 170008308 XBHJJWURTJEGGG-UHFFFAOYSA-N 272.153 2.505 30 50 CFEA C=CCc1c(C)nc(N)nc1N[C@H](C)c1cccc(C)n1 95375778 LMXLNAMPJLGFRI-GFCCVEGCSA-N 283.379 2.972 30 50 CFEA CCc1c(C)nn(Cc2cccc(C(=O)OC)c2C#N)c1C 1875253865 ALFJBFCCOTWUOH-UHFFFAOYSA-N 297.358 2.769 30 50 CFEA CCCCN(C)CC1CCN(c2cccnc2C#N)CC1 170595685 ZJCATDQWNAOKCU-UHFFFAOYSA-N 286.423 2.902 30 50 CFEA C=C(C)[C@@H]1CC=C(CN(CCO)Cc2cnc(C)[nH]2)CC1 1704354338 CCRUEAMUKYSKKF-MRXNPFEDSA-N 289.423 2.815 30 50 CFEA Cc1nc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 307569093 WXTPADHCAZCMJV-UHFFFAOYSA-N 287.090 2.708 30 50 CFEA NC(N)=Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 12481949 RGJFEUSQLIFRJG-UHFFFAOYSA-N 297.749 2.855 30 50 CFEA C#CCOc1c(Br)cc(/C=N/O)cc1OCC 2990064 CKUSWORHPFXRBR-RIYZIHGNSA-N 298.136 2.668 30 50 CFEA Cc1ccccc1[C@@]1(O)CCN(Cc2cccc(C#N)c2)C1 215594509 RDKHEWWYNWQXPQ-LJQANCHMSA-N 292.382 2.960 30 50 CFEA N#Cc1ccccc1CN1CC[C@@]2(CCCO2)CCC1=O 72145655 IOTSPRXXOGHJRH-QGZVFWFLSA-N 284.359 2.620 30 50 CFEA CC(C)N(C)c1ccc(/C=C/C(=O)c2cnc[nH]2)cn1 585135922 ITJVESMOCZKONR-GQCTYLIASA-N 270.336 2.545 30 50 CFEA N#Cc1cncc(N[C@H]2CCC[C@H]2Cc2ccccn2)n1 585098967 WUCZNOLEAIXSNM-WFASDCNBSA-N 279.347 2.567 30 50 CFEA Cc1ccnc(NC(=O)NCc2cccc(C#N)c2)c1 195560116 XWHUQKMZXXFSDL-UHFFFAOYSA-N 266.304 2.583 30 50 CFEA C=C[C@H](CC(=O)N(OC)[C@H](C)CC(=O)O)c1ccccc1 1602813305 VKLHCVZKZOEJKN-CHWSQXEVSA-N 291.347 2.600 30 50 CFEA CCc1n[nH]c(=S)n1/N=C/c1ccccc1F 5686834 SUWONXGYGVZOOB-NTUHNPAUSA-N 250.302 2.524 30 50 CFEA CC1(C)OB(c2ccc([N+](=O)[O-])cc2Cl)OC1(C)C 169956096 AYPQIFIELRRUTA-UHFFFAOYSA-N 283.520 2.547 30 50 CFEA C=C(C)C(=O)Nc1nnc(-c2cccs2)s1 476895 JBOGIULJDVDVQV-UHFFFAOYSA-N 251.336 2.781 30 50 CFEA CCOC(=O)c1cc(C(C)C)sc1NC(=O)CC#N 6783923 CVCOJTPLHAKXGC-UHFFFAOYSA-N 280.349 2.900 30 50 CFEA NC(=O)c1ccccc1N/C=C/C(=O)c1cccs1 8682526 QDNYQUMEJABBKM-BQYQJAHWSA-N 272.329 2.656 30 50 CFEA CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=C/N(C)C 100152128 IMGGVJCJRUVVRX-CXUHLZMHSA-N 289.335 2.575 30 50 CFEA CC(C)Oc1cncc(/C(O)=N/[C@]2(C)CCCOC2)c1 330626702 JHMGANXBBWUJOG-OAHLLOKOSA-N 278.352 2.743 30 50 CFEA CC(C)c1ccoc1/C(O)=N/C[C@@H]1CCCCN1CCO 331329100 NXVWYSISXUMPAI-ZDUSSCGKSA-N 294.395 2.554 30 50 CFEA N#Cc1c(F)cccc1N1CCC[C@@H]1c1cc[nH]n1 336124324 OHDXVQDJDRCOEK-CQSZACIVSA-N 256.284 2.762 30 50 CFEA Cc1nc(C/N=C(/O)C[C@H]2CCOC2)sc1C 329794223 GBECNKHGFZJDTG-SNVBAGLBSA-N 254.355 2.643 30 50 CFEA N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3ccncc3)C2)C1 295892728 HWBJWJUFJIANLT-FVQBIDKESA-N 255.365 2.953 30 50 CFEA Cc1ccc2nc(CN(C)Cc3cc(C#N)n(C)c3)[nH]c2c1 670442361 CPBAUKXUMRKMJP-UHFFFAOYSA-N 293.374 2.714 30 50 CFEA CCc1ccc(N/C(N)=N\c2nc(C)cc(C)n2)cc1 6134807 AQMAWBQAKRHWRD-UHFFFAOYSA-N 269.352 2.714 30 50 CFEA Cc1ccc(N2CCN(/N=C\c3ccncc3)CC2)cc1 5009169 ISNAKOYHJUOKBR-RGEXLXHISA-N 280.375 2.546 30 50 CFEA CCc1noc(C)c1N=C(O)c1cnn(C)c1C1CC1 328842583 PDHXSKNUOGSPPD-UHFFFAOYSA-N 274.324 2.793 30 50 CFEA CCCc1cc(=O)[nH]c(SCc2ccc(C#N)cc2)n1 8628396 QOOTUDDHUBMRLN-UHFFFAOYSA-N 285.372 2.886 30 50 CFEA Cc1cc(C)c(C#N)c(SCC(=O)NC(C)(C)C)n1 108014 HZNVTDFRSYWPTF-UHFFFAOYSA-N 277.393 2.577 30 50 CFEA CCCCN(CC#CCOCCC#N)CCCC 3158894 XGWIHOFDUGIQPQ-UHFFFAOYSA-N 250.386 2.822 30 50 CFEA C=CCOC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 4755575 WVXXQKUYBJRCAB-NTCAYCPXSA-N 297.310 2.780 30 50 CFEA Cc1ccc(S(=O)(=O)N/N=C2/CCCC[C@H]3C[C@@H]23)cc1 4948903 ZMTYKAMKJZLDNS-NCJNIDAQSA-N 292.404 2.839 30 50 CFEA Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)C2=CCCC2)cn1 328617442 CTMSFLWMAHKCJJ-UONOGXRCSA-N 275.352 2.707 30 50 CFEA C=CCN(CCC#N)c1cnc2cc(F)c(F)cc2n1 253429520 DBNKWZZBVTUICU-UHFFFAOYSA-N 274.274 2.814 30 50 CFEA C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCCOCC1 333528568 XPHSGTNDWDHAJT-ZFWWWQNUSA-N 286.375 2.894 30 50 CFEA C[C@H]1C[C@H](CN2CCC(C#N)(c3ccccn3)CC2)CCO1 548791959 ZNITUJDVWZBBPT-JKSUJKDBSA-N 299.418 2.754 30 50 CFEA CCCCNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 169955751 ILFMZOJLPSGKNP-UHFFFAOYSA-N 276.189 2.593 30 50 CFEA in-vitro Cc1nc2c(s1)CCC[C@@H]2CN(C)c1cncc(C#N)n1 575603600 IZMNQKATXCQVKW-LLVKDONJSA-N 299.403 2.670 30 50 CFEA C=CC[C@H](CO)NC(=O)c1ccccc1Oc1cccnc1 170594846 JWHZNJCVQRNUSP-CYBMUJFWSA-N 298.342 2.541 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C 585090156 OPJYJKOGMKSITR-REWJHTLYSA-N 252.402 2.528 30 50 CFEA Oc1ccccc1/C=N/NC(=S)Nc1ccccc1 83966 BKJAPBJJTOJXEZ-XNTDXEJSSA-N 271.345 2.713 30 50 CFEA Cc1nc2ccc(N/C(O)=N/CC3(C4CC4)CC3)cn2n1 329470822 YNXLUELUBFUASJ-UHFFFAOYSA-N 285.351 2.554 30 50 CFEA Cc1cc(/N=C2\C=C(N3CCOCC3)CC(C)(C)C2)[nH]n1 263619732 MSIBRJKIIJJJIC-GHRIWEEISA-N 288.395 2.827 30 50 CFEA N#Cc1cc(C(=O)O)c(Br)cc1C(F)F 263623930 LXBJFOWOZCAIST-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1cc2n(n1)CCCC2 585126764 HTZCAGLDHAOWBL-STQMWFEESA-N 275.396 2.999 30 50 CFEA CC[C@H](CC#N)OC(=O)c1ccc(N(C)C)cc1F 170605107 PDYHEDPXCLPIKL-LLVKDONJSA-N 264.300 2.741 30 50 CFEA N#Cc1cncc(N[C@H]2C[C@H](c3ccc(F)cc3)C2)n1 575603633 MKLXVUITXZVNTB-AULYBMBSSA-N 268.295 2.845 30 50 CFEA C[C@H]1CN([C@H](C#N)c2ccc(Cl)cc2)CCO1 238950231 XGKIAHVQTMOSNC-GXFFZTMASA-N 250.729 2.625 30 50 CFEA N#Cc1c(Br)cccc1N1CCSC1 169725833 JFJAKTONMSYCNM-UHFFFAOYSA-N 269.167 2.831 30 50 CFEA C[C@H](Cc1ccccc1)NC(=O)CO/N=C/c1ccccc1 2897221 OHKGKNZNXXKALB-DQPIFXJKSA-N 296.370 2.785 30 50 CFEA O=C(Nc1ccccc1)[C@@]12C[C@@H]1/C(=N/O)c1ccccc1O2 7999025 FPXPIEZPAXSELW-UYFJIRQKSA-N 294.310 2.655 30 50 CFEA CC(C)(C)c1ccc(Cn2cnc(C#N)c2C#N)cc1 1390300 GSVLJIRBIVUBRQ-UHFFFAOYSA-N 264.332 2.972 30 50 CFEA O=C[C@H]1CC[C@@H](NC(=O)OCc2ccccc2)CC1 100007349 SOIRQISQWQDGSN-MQMHXKEQSA-N 261.321 2.671 30 50 CFEA CCN(CC)CCN1C(=O)CS/C1=N\c1ccccc1 96027316 OCJDSYDEUURIEX-NXVVXOECSA-N 291.420 2.591 30 50 CFEA COc1cn(C)nc1[C@@H](C)Nc1ncc(C#N)cc1Cl 952992279 DAZHBKZNNSNVHB-MRVPVSSYSA-N 291.742 2.522 30 50 CFEA CC1(C)OB(c2ccc(N3CCCC3)cc2)OC1(C)C 169743700 DWJNNJSONWFVBT-UHFFFAOYSA-N 273.185 2.586 30 50 CFEA in-vitro COc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 196949934 DYCAJFGGKYQESZ-UHFFFAOYSA-N 268.549 2.648 30 50 CFEA C(#Cc1ccccc1)CN1CCN(C2CCCCC2)CC1 19535211 DGBMOCDPMOQTQT-UHFFFAOYSA-N 282.431 2.988 30 50 CFEA N#Cc1nc(-c2ccccc2F)oc1NC[C@@H]1CCCO1 467308 GIFJLEHILMQHQT-JTQLQIEISA-N 287.294 2.943 30 50 CFEA CCCc1noc(CNc2cc(C#N)ccc2NC)n1 241739148 RAJYQMQYQCYFMM-UHFFFAOYSA-N 271.324 2.548 30 50 CFEA CC1(C)OB(c2ccc(C3(N)CCCC3)cc2)OC1(C)C 238855990 ULHBTCWDXIBCKL-UHFFFAOYSA-N 287.212 2.714 30 50 CFEA O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)Oc2ccccc21 299738191 IHUBHUJEOUGOKP-ZSOIEALJSA-N 283.239 2.917 30 50 CFEA COc1ccccc1N1CC[C@@H](Nc2ncccc2C#N)C1 268191724 FCFFEOMUGSGWCZ-CQSZACIVSA-N 294.358 2.653 30 50 CFEA CC1(C)OB(c2cccc(F)c2OC(F)F)OC1(C)C 218895369 QTPZAGNKFXQDIT-UHFFFAOYSA-N 288.074 2.726 30 50 CFEA O=C(/C=C/c1ccc2c(c1)OCO2)c1cccnc1 4024873 SWCPAKKAUGIZQP-HWKANZROSA-N 253.257 2.706 30 50 CFEA biogenic Cc1cc(-c2ccc([C@H]3CNC(=O)C3)cc2)nc(C)c1C#N 1875248492 UGZCVVNPQFBBOA-OAHLLOKOSA-N 291.354 2.841 30 50 CFEA CC1(C)OB(c2cc3c(Cl)nccc3o2)OC1(C)C 1857785147 PMAANDNACUXOAF-UHFFFAOYSA-N 279.532 2.780 30 50 CFEA N#Cc1ccc(Cn2cnc3cc(Cl)ccc3c2=O)cc1 407470 HQUVNDXMXDQUPA-UHFFFAOYSA-N 295.729 2.970 30 50 CFEA O=C(/C=C(/O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 106650166 KIWJUJSYTPFRDA-WEVVVXLNSA-N 261.155 2.782 30 50 CFEA C[C@@H](Nc1cncc(C#N)n1)[C@@H]1OCCc2sccc21 420645531 YULZFGCFQNNBFF-OTYXRUKQSA-N 286.360 2.524 30 50 CFEA CC1(C)CN[C@H]1C1CCN(Cc2ccc(C#N)cc2)CC1 952876950 IXEFLESMQRIFFZ-KRWDZBQOSA-N 283.419 2.768 30 50 CFEA CC(C)(C)c1cc(O)cc(B2OC(C)(C)C(C)(C)O2)c1 205622100 ONHYUVPQMJXABU-UHFFFAOYSA-N 276.185 2.989 30 50 CFEA CCN(CC)c1ccc([C@H](C#N)N2CCO[C@@H](C)C2)cc1 170594296 OQAJKFSCQPYXLU-YOEHRIQHSA-N 287.407 2.818 30 50 CFEA N#C[C@H]1c2ccccc2CCN1C(=O)c1ccccc1 337460 SUCYGZUQJXUYID-INIZCTEOSA-N 262.312 2.950 30 50 CFEA C=CCn1cc(C(=O)N2CC(C)(C)[C@H]2c2ccccc2)nn1 952887242 LKXMUFMTPLGSDQ-OAHLLOKOSA-N 296.374 2.687 30 50 CFEA C#CCn1cc(N(Cc2ccc(C)cc2C)C(=O)C=C)cn1 1875388688 LWWLQENYOLZBBM-UHFFFAOYSA-N 293.370 2.852 30 50 CFEA CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C=O 38884993 RQBSVZLMTABKNG-CYBMUJFWSA-N 261.321 2.547 30 50 CFEA in-vitro C#C[C@@H](N[C@H]1CCOC1)c1ccc(Br)cc1 585117129 RNYHGSDQMJXTLO-QWHCGFSZSA-N 280.165 2.502 30 50 CFEA Fc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1 55598 XCIOXAPXAYEYFR-XMHGGMMESA-N 283.350 2.982 30 50 CFEA C=CCn1/c(=N/C(=O)c2ccccc2)[nH]c2ccccc21 186886 IMVGSZDYBWYQPU-UHFFFAOYSA-N 277.327 2.897 30 50 CFEA CCCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 203611501 XKMQRGFUOWEBLS-UHFFFAOYSA-N 252.188 3.000 30 50 CFEA in-vitro CCCc1cc(=O)[nH]c(N/N=C/C=C\c2ccccc2)n1 13520727 NWWCBMVYCWAMRD-UPWDGHCPSA-N 282.347 2.834 30 50 CFEA CCN(CC)c1ccc(/C=C2\C(=O)ON=C2C)cc1 13601917 FANCHKKMSCVJOD-UVTDQMKNSA-N 258.321 2.849 30 50 CFEA C[C@H](CN1CCOCC1)/N=C(/O)C1(C2CCC2)CCC1 328598326 LHZVVNSNHQDMQV-CYBMUJFWSA-N 280.412 2.634 30 50 CFEA O=C(OCc1ccccc1)ON1C(=O)c2ccccc2C1=O 394725 QHZNYGVZDCMWKX-UHFFFAOYSA-N 297.266 2.551 30 50 CFEA C=CCn1nnnc1NCc1c(Cl)cccc1Cl 4512831 LHMLVCRFYKGWIG-UHFFFAOYSA-N 284.150 2.778 30 50 CFEA CC1(C)OB(c2cc3cccc(F)c3[nH]2)OC1(C)C 202774137 UCMJVLMXECHXQH-UHFFFAOYSA-N 261.105 2.606 30 50 CFEA O=C([C@H]1CO1)N1CCC(c2cccc3ccccc23)CC1 1875372533 HSGSEHZMPVKTBX-QGZVFWFLSA-N 281.355 2.945 30 50 CFEA C=CC(=O)Nc1ccc(C(=O)N(C[C@@H](C)C#N)C2CC2)cc1 1447066621 FCXGOLNVUJRXET-LBPRGKRZSA-N 297.358 2.575 30 50 CFEA N#Cc1ccc(N2CCSC2)c(Br)c1 169725870 FHGBVUPRZUSILK-UHFFFAOYSA-N 269.167 2.831 30 50 CFEA C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1O 166258396 XNVQKGRINDCFIQ-ZANVPECISA-N 284.281 2.784 30 50 CFEA C=C1CC(C)(c2noc(Cc3cnccc3C)n2)C1 896923351 JJFFVWHAURIFJK-UHFFFAOYSA-N 255.321 2.972 30 50 CFEA COc1ccc(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 514310 JXUXHBJKNRFFMZ-LBPRGKRZSA-N 296.326 2.973 30 50 CFEA C=CCn1cc(CN(C)CCN2CCCC[C@H]2C)c(C)n1 230117793 LBGQTCSVEPUDCD-OAHLLOKOSA-N 290.455 2.684 30 50 CFEA C=C1CN(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)C1 952880744 XELNENXIQVMPSK-JTQLQIEISA-N 282.290 2.930 30 50 CFEA CCOc1cc(C#N)ccc1OC[C@@H]1C[N@@]1C1CCC1 1875381721 FNRUJJRGUGKDGF-KSSFIOAISA-N 272.348 2.572 30 50 CFEA N#C[C@H](NC(=O)CCc1cccc(F)c1)c1cccnc1 1875389201 GJHDTDOWIGTLRB-HNNXBMFYSA-N 283.306 2.534 30 50 CFEA CC1(C)OB(c2ccc(Cl)c3[nH]ncc23)OC1(C)C 204628056 NUTJVPSEKQOSEQ-UHFFFAOYSA-N 278.548 2.516 30 50 CFEA N#Cc1cc(Cl)ccc1-n1cc(-c2cccnc2F)nn1 2325818298 PHVZNASGMQAIIC-UHFFFAOYSA-N 299.696 2.993 30 50 CFEA N#Cc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 468072 MJUONLCIPPKEQF-UHFFFAOYSA-N 266.256 2.539 30 50 CFEA Cc1sc(Cl)nc1C(=O)NCC#Cc1ccccc1 225464569 GRRNLKWRRSKGJD-UHFFFAOYSA-N 290.775 2.886 30 50 CFEA C=CCN1C(=O)O[C@](C)(CCC=C(C)C)[C@@]1(C)O 2025388 UOKVKKBVZREBLQ-ZIAGYGMSSA-N 253.342 2.838 30 50 CFEA COC1CCC(CC/N=C(/O)Cc2cncnc2)CC1 329556937 HNGUOEDOZGIJBK-UHFFFAOYSA-N 277.368 2.571 30 50 CFEA Cn1cc(CN2CC[C@@H](Oc3ccccc3)C2)cc1C#N 377206101 GCUYWYMMRXLOFA-QGZVFWFLSA-N 281.359 2.550 30 50 CFEA C[C@@H]1C2=C([C@H]3CC[C@H]2C3)[C@H](C)[C@@H]2C(=O)C=CC(=O)[C@@H]12 254350546 MFWXBRNFSDCQBU-KMODBWIQSA-N 256.345 2.939 30 50 CFEA N#C[C@H]1C[C@H]1CN1CCC(OCc2ccccc2F)CC1 888096249 OXYZTIGAJYDQCX-CABCVRRESA-N 288.366 2.966 30 50 CFEA COC(=O)c1ccc(COc2ccccc2/C=N/O)cc1 258644 RGNRJAZBANWNAV-LICLKQGHSA-N 285.299 2.860 30 50 CFEA biogenic C=C[C@H](c1ccccc1)c1nc(CC(=O)NCCCC)no1 1615614693 QQZWIGHDFQIAEH-CQSZACIVSA-N 299.374 2.846 30 50 CFEA CC#CC(=O)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 844008284 FTZORTVYDDJWCE-STQMWFEESA-N 281.359 2.729 30 50 CFEA Cc1[nH]c2ccccc2c1C/C(O)=N/[C@H]1CC[C@@H](O)C1 328591917 BANZDGGSCWCJCE-NWDGAFQWSA-N 272.348 2.889 30 50 CFEA C=CCC[C@@H](NC(=O)N1CCC[C@@H](O)C1)c1ccccc1 131077597 GQLHSVQCBMHVPA-HZPDHXFCSA-N 288.391 2.860 30 50 CFEA C=CCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCCN1 55153554 RGTNNTPWEBGPAA-AWEZNQCLSA-N 278.783 2.607 30 50 CFEA Cc1ccccc1N=C(O)c1cc2ncccn2n1 328592582 JKASCABGFGCKCB-UHFFFAOYSA-N 252.277 2.674 30 50 CFEA O=C(O)c1ccc(/C=N/Nc2ncnc3ccccc23)cc1 1875321212 YUFZHKNGOBOYSJ-DJKKODMXSA-N 292.298 2.774 30 50 CFEA COC(C)(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 223775487 TTYRUQXGPVXPGK-UHFFFAOYSA-N 276.185 2.867 30 50 CFEA C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@@H](C2CC2)O1 279324157 OITUIRUNLINFGV-BZNIZROVSA-N 274.339 2.697 30 50 CFEA Cc1nnc(C)n1/N=C\c1c(F)cccc1Cl 5033602 LARYRSKAWNNVML-NSIKDUERSA-N 252.680 2.570 30 50 CFEA Cc1nnc(C)n1/N=C/c1cccc(Br)c1 228366 XKWDLZGEAMOYRG-NTUHNPAUSA-N 279.141 2.540 30 50 CFEA CC(=O)OC1=CC=C2C=C(C(C)=O)c3ccccc3[C@@]23O[C@H]13 101016911 CGWRTRGFUKIGPA-MSOLQXFVSA-N 294.306 2.654 30 50 CFEA O=C(Nc1ccccc1)[C@]12C[C@@H]1/C(=N\O)c1ccccc1O2 100058151 FPXPIEZPAXSELW-SROFMDJESA-N 294.310 2.655 30 50 CFEA in-vitro COc1ccc(Nc2nccc(OC)c2C#N)cc1 1387789 XIRWSOHPCQCHDG-UHFFFAOYSA-N 255.277 2.714 30 50 CFEA Cc1ccc(C(=O)O)c(Oc2ccc(CC#N)cc2)n1 40457293 SWEOCMXUPJXANI-UHFFFAOYSA-N 268.272 2.947 30 50 CFEA C[C@H](C#N)[C@]1(O)c2ccccc2CCc2ncccc21 252491917 LZNKDRZWHJIFMI-PXAZEXFGSA-N 264.328 2.576 30 50 CFEA CSc1ccccc1B1OC(C)(C)C(C)(C)O1 169745911 SLJWZEVOGXSTOM-UHFFFAOYSA-N 250.172 2.708 30 50 CFEA in-vitro O=C(C[n+]1ccc(-c2ccccc2)nc1)c1ccccc1 3121750 RFSJLPFCFNHJAT-UHFFFAOYSA-N 275.331 2.919 30 50 CFEA Cc1cccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)c1 9225534 OPLQJJPLUISTOO-BDJLRTHQSA-N 294.358 2.855 30 50 CFEA C=C[C@H](C)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1 472352480 ZGCGPCDMLCHQET-QMMMGPOBSA-N 283.253 2.657 30 50 CFEA CC(C)(C)[C@H]1OCC[C@@H]1C/N=C(/O)c1cncc(F)c1 328612943 QFMSLTCLQCOQGN-MFKMUULPSA-N 280.343 2.977 30 50 CFEA CC(C)(C)OC(=O)[C@@H](C#N)c1ccc(Cl)cn1 96028523 MZNHXBAQIVZMHE-VIFPVBQESA-N 252.701 2.684 30 50 CFEA C=C[C@@]1(O)C[C@@H]2[C@H]3[C@@H]4[C@@H]5[C@H]([C@@H]6CC[C@H]([C@@H]64)[C@H]31)[C@](O)(C=C)C[C@H]25 252157566 HHDXNQYASCNGKB-HAXQZNGYSA-N 298.426 2.625 30 50 CFEA CC(C)C[N@]1C[C@H]1COc1ccc(C#N)c(Cl)c1 1875378540 FVKUSACITLSUER-YVEFUNNKSA-N 264.756 2.931 30 50 CFEA CC1(C)OB(c2ccc([C@]3(C)CCO3)cc2F)OC1(C)C 958692244 SYKSUKCMMJTOHR-INIZCTEOSA-N 292.159 2.760 30 50 CFEA C#CCN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O 1164714 IREIBZMYMUIFCJ-FMIVXFBMSA-N 257.314 2.665 30 50 CFEA CC1(C)OB(c2ccc(O)c(Cl)c2Cl)OC1(C)C 223258515 NBCCAZJEVGVCRW-UHFFFAOYSA-N 288.967 2.998 30 50 CFEA C=CCn1cc(-c2nnc3c4ccccc4ncn23)c(C)n1 200536549 HLMCECHXUDGQNA-UHFFFAOYSA-N 290.330 2.635 30 50 CFEA COC(=O)[C@@H](/N=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)C 1393917 KYQZLOWVKYBWNA-KMHUVPDISA-N 278.308 2.601 30 50 CFEA CC(C)(C#N)C(=O)NOCc1ccc(C(F)(F)F)cc1 155778458 TUTIVEWGYWOUAT-UHFFFAOYSA-N 286.253 2.803 30 50 CFEA N#CCC[C@H](C#N)CN1CC[C@@H](c2ccccc2)[C@@H](CO)C1 367139441 XPIJLPSPEGQYDB-NXHRZFHOSA-N 297.402 2.528 30 50 CFEA C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 333612031 YCZXNNDERPERJJ-GVRJEKJASA-N 290.407 2.622 30 50 CFEA Cc1noc(C)c1CN(C)Cc1ccc(C#CCCO)cc1 97495489 XVDFIVJZGPSHBR-UHFFFAOYSA-N 298.386 2.657 30 50 CFEA Cn1cc(/C=C/C(=O)c2cc3cc(F)ccc3oc2=O)cn1 390834944 URLWZROFMTUXQS-DUXPYHPUSA-N 298.273 2.562 30 50 CFEA C=CCc1cc(CN2CC[C@@H](OC)C2)ccc1OC 670461280 PNFYFXPCBGAZFD-OAHLLOKOSA-N 261.365 2.644 30 50 CFEA C#CCOc1cccc([C@H](C)N[C@@H]2CCc3c[nH]nc3C2)c1 1775984821 KFLFPORGEOPEBZ-XJKSGUPXSA-N 295.386 2.630 30 50 CFEA CC1(C)CC[C@@H](N2CCCn3nc(C#N)cc3C2)C1 1857709545 DQCTZFTZJXEGBG-CYBMUJFWSA-N 258.369 2.539 30 50 CFEA CN(NC1=CC(=O)CCC1)c1ccc(C(F)(F)F)cn1 5319607 TUZHHSNRZLWAPB-UHFFFAOYSA-N 285.269 2.678 30 50 CFEA CC[C@H]1CN(Cc2cc(C#N)n(C)c2C)CCN1C(C)C 72166660 JCLPQCQBEADNDN-INIZCTEOSA-N 288.439 2.510 30 50 CFEA CCNC(=O)c1ccccc1NCc1cccc(C#N)c1 178273494 GKOMOGZUNYBNOO-UHFFFAOYSA-N 279.343 2.920 30 50 CFEA C#CCCCCC(=O)Oc1ccc2nc(C)[nH]c2c1 585135941 JQWKZNSXTALVAE-UHFFFAOYSA-N 256.305 2.970 30 50 CFEA C[C@H](NC(=O)[C@H]1CO1)c1ccc(Cl)cc1Cl 1875372971 QQIFHVVTCUZXAW-QUBYGPBYSA-N 260.120 2.569 30 50 CFEA N#Cc1cccc(N[C@@H]2CCN(C(=O)C3CCCCC3)C2)n1 301637663 FNRYJDJYCJZBHB-OAHLLOKOSA-N 298.390 2.546 30 50 CFEA COc1ccc(/C(N)=N/OC(=O)c2ccc(C)cc2C)cc1 5014244 AFMLPADJLCCJGO-UHFFFAOYSA-N 298.342 2.789 30 50 CFEA O=[N+]([O-])c1ccc(N/N=C2\C=CCC2)c([N+](=O)[O-])c1 4569591 FJEHTZZKCKTXSY-XYOKQWHBSA-N 262.225 2.621 30 50 CFEA C=CC[C@H](CO)Nc1ccc(C(F)(F)F)cc1C#N 273308378 MYNAHWCEJXAQGA-LLVKDONJSA-N 270.254 2.926 30 50 CFEA COc1ccc(C#Cc2ccc3c(c2)OCO3)cc1 338013 CCLNVCNFNUXVKI-UHFFFAOYSA-N 252.269 2.824 30 50 CFEA N#Cc1c[nH]c(-c2nc(Cc3c(F)cccc3F)no2)c1 225589974 XJFHDTJLRRFJNY-UHFFFAOYSA-N 286.241 2.805 30 50 CFEA CC1(C)OB(c2cnc(C(F)(F)F)c(F)c2)OC1(C)C 307600235 QVUUYXCNDUEIRV-UHFFFAOYSA-N 291.053 2.539 30 50 CFEA CC(=O)N1/C(=C/c2ccco2)C(=O)c2ccccc21 25539299 NBFSVOFXVPTFFK-NTEUORMPSA-N 253.257 2.870 30 50 CFEA O/C(=N/C[C@H]1CCO[C@@H]1c1ccccc1)[C@H]1CCCO1 328609989 GIXILJQCXHNSBM-RBSFLKMASA-N 275.348 2.900 30 50 CFEA N#CCCCN1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 377651252 YUSNEUTWJCKNBG-ZFWWWQNUSA-N 278.783 2.651 30 50 CFEA Cc1cc(C#N)cc(N[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)n1 952890919 NJEDNAXBROFODF-OCCSQVGLSA-N 297.362 2.776 30 50 CFEA CC1(C)OB(c2ccnc(Cl)c2Cl)OC1(C)C 169745913 LRQNNFMOVWWIHA-UHFFFAOYSA-N 273.956 2.688 30 50 CFEA in-vitro N#Cc1cncc(N2CCCC[C@@H]2c2ccc(F)cn2)n1 575603851 PEEDGAQLIXSIFK-CQSZACIVSA-N 283.310 2.614 30 50 CFEA N#C[C@@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1 223663875 BQQNOTSVBCYZSE-LBPRGKRZSA-N 265.316 2.611 30 50 CFEA COC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 4858512 HFIFMNNHBDLUKK-UHFFFAOYSA-N 298.273 2.736 30 50 CFEA CCc1n[nH]c(=S)n1/N=C/c1ccc(F)cc1 6519863 OGNRSFGGTGYKSX-NTUHNPAUSA-N 250.302 2.524 30 50 CFEA CCc1noc(C)c1/C(O)=N/[C@]1(C)CCO[C@H]1C1CC1 329592294 ZGCCEGFFUACMFX-DZGCQCFKSA-N 278.352 2.808 30 50 CFEA Cn1cc(N=C(O)[C@H]2CCCOCC2)c(C2CC2)n1 329573229 AHTVIOCIFMKIEB-NSHDSACASA-N 263.341 2.702 30 50 CFEA N#CCCCCn1c(-c2ccccc2Cl)noc1=O 1875391576 DESSCRXYFHSTHU-UHFFFAOYSA-N 277.711 2.851 30 50 CFEA N#Cc1ccc(N[C@H]2CCCO[C@@H]2c2ccncc2)nc1 275493487 JEJMTDNULOWKSL-GOEBONIOSA-N 280.331 2.680 30 50 CFEA CC(C)Cc1ccc([C@@H](C)/C(O)=N/S(C)(=O)=O)cc1 8717 KQDRVXQXKZXMHP-LLVKDONJSA-N 283.393 2.905 30 50 CFEA investigational C=CCNC(=O)c1cc(COc2c(C)cccc2C)on1 11842768 XAZXENOZDODDDV-UHFFFAOYSA-N 286.331 2.786 30 50 CFEA C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1 13126953 MDQVQKUDFDEWNY-ZUZCIYMTSA-N 280.331 2.546 30 50 CFEA C=CCc1ccccc1OC[C@H](O)CN1CCC(C)CC1 207425 VVKIABHDJLQWEI-QGZVFWFLSA-N 289.419 2.887 30 50 CFEA C=CCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2951149 HLBSMQCLYMAFHY-UHFFFAOYSA-N 272.260 2.771 30 50 CFEA CC1CCN(CCOCCOc2ccccc2C#N)CC1 4841054 PJWSDNDLPTZLGP-UHFFFAOYSA-N 288.391 2.686 30 50 CFEA Cc1cc(C#N)cnc1N1CCC[C@@H]1[C@@H]1CCCOC1 1875294335 FINXELDZNBFRQK-HUUCEWRRSA-N 271.364 2.657 30 50 CFEA C#CCCC1(CCC(=O)NCc2ccc3c(c2)COC3)N=N1 888096429 UXXXYZDOMSFIHW-UHFFFAOYSA-N 297.358 2.689 30 50 CFEA CC[C@@H](CC#N)NC(=O)c1ccc2cc(C)cn2c1 585080832 KCRFBINLVMZPBY-ZDUSSCGKSA-N 255.321 2.670 30 50 CFEA CCc1nc(C#N)cc(N2CCC[C@@H](c3ccncc3)C2)n1 596253673 FPVFOUMVNDMQHI-CQSZACIVSA-N 293.374 2.690 30 50 CFEA Oc1cccc(/C=N/Nc2nc3ccccc3[nH]2)c1 5023712 NQBDTCVXSVQPSR-OQLLNIDSSA-N 252.277 2.715 30 50 CFEA N/C(Cc1ccc(Cl)cc1)=N\OC(=O)c1ccco1 5042271 AJHLYJXXDAJXRP-UHFFFAOYSA-N 278.695 2.605 30 50 CFEA CC(=O)C(C)(C)/C(C)=N/N=C(\N)c1ccc(C)cc1 5044523 SUGQREUDJYNOSU-GZTJUZNOSA-N 259.353 2.691 30 50 CFEA C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1cccnc1 4533067 NQGJABZLJUGTJA-XNTDXEJSSA-N 256.265 2.826 30 50 CFEA C[C@H]1CC2(CCN(C(=O)c3ccccc3C#N)CC2)CO1 1857691465 MLJBZTBBORUWBQ-ZDUSSCGKSA-N 284.359 2.589 30 50 CFEA COc1ccc(CNC[C@H]2CCO[C@@H]2C(C)C)cc1C#N 267239900 GXODUZQGAACFAI-RHSMWYFYSA-N 288.391 2.718 30 50 CFEA COc1ccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)cc1 100279408 PRQJIOZRFLEGHG-VMPITWQZSA-N 286.283 2.559 30 50 CFEA biogenic COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1O 76005 NPHKQWBQYOBTKH-UHFFFAOYSA-N 280.279 2.863 30 50 CFEA biogenic C=C(CNC(=O)c1cc(C(C)=O)c[nH]1)c1ccccc1 360221115 LVELWIBAORPZAU-UHFFFAOYSA-N 268.316 2.661 30 50 CFEA CC(C)C[N@@]1C[C@H]1COc1cccc(Cl)c1C#N 1875379671 TYLCALGGOJLIHQ-GTNSWQLSSA-N 264.756 2.931 30 50 CFEA CC1(C)OB(c2nc3ccccc3s2)OC1(C)C 170025696 XJTMYBOOAXHXBD-UHFFFAOYSA-N 261.155 2.596 30 50 CFEA in-vitro COc1cccc(-c2nc3cc(C#N)ccc3[nH]2)n1 170090327 CORCQVSHOHDMJA-UHFFFAOYSA-N 250.261 2.505 30 50 CFEA CN(Cc1cccc2cccnc12)C(=O)c1cc(C#N)c[nH]1 1506424832 LZBBOQLXDVBPML-UHFFFAOYSA-N 290.326 2.707 30 50 CFEA CCOC(=O)CCCOc1ccc(/C(C)=N\O)cc1OC 5796096 JQALEYJHXXWJAU-WJDWOHSUSA-N 295.335 2.616 30 50 CFEA C=CCNC(=S)Nc1ccc(Br)cc1 16890288 BULNQPKNOORXJO-UHFFFAOYSA-N 271.183 2.922 30 50 CFEA C=CCc1ccccc1OCCCCN1CCN(C)CC1 20118358 BGWPDDRGKBWGMM-UHFFFAOYSA-N 288.435 2.822 30 50 CFEA C(#Cc1cccc2ccccc12)CN1CCOCC1 20437875 GZEOEZTVKXEBQT-UHFFFAOYSA-N 251.329 2.524 30 50 CFEA N#CCc1nc(COc2ccc(Cl)cc2Cl)n[nH]1 3470270 RYWRFVAJWHHNAE-UHFFFAOYSA-N 283.118 2.757 30 50 CFEA CC(O)=Nc1ccn([C@H]2CCN(Cc3ccc(C)o3)C2)n1 328645347 ZOXQCGMVFHXVTA-ZDUSSCGKSA-N 288.351 2.839 30 50 CFEA CC1=C(C)[C@@]2(C)[C@@H]3C(=O)C=CC(=O)[C@@H]3[C@@]1(C)C(=O)C2(C)C 216172468 RQFQLKCULHEKLG-DACLVMHWSA-N 286.371 2.898 30 50 CFEA C=CC[C@H]1CC=C(Br)[C@H](CC(C)=O)N1 40457254 FKELFNAVZPIGPY-ONGXEEELSA-N 258.159 2.551 30 50 CFEA CCN(CC)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 169808886 ZSIJHVXJNJQXDF-UHFFFAOYSA-N 289.228 2.828 30 50 CFEA in-vitro CC(C)(C)c1cc(C(=O)N(CCC#N)CC2CC2)no1 266090096 IPJAADZIHLNNJH-UHFFFAOYSA-N 275.352 2.738 30 50 CFEA Cn1cc(/C=N/N2CCCC2)c(C2CCCCC2)n1 2325788051 JJRDFPMALDESMY-LFIBNONCSA-N 260.385 2.898 30 50 CFEA CCN(Cc1cccc(C#N)c1)Cc1c(C)nn(C)c1C 215174400 QBGPEGAKACVHPB-UHFFFAOYSA-N 282.391 2.931 30 50 CFEA O/C(=N/C[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1CCCO1 328609988 GIXILJQCXHNSBM-QLFBSQMISA-N 275.348 2.900 30 50 CFEA N#Cc1ccncc1N1CC[C@H](n2cc3ccccc3n2)C1 371658401 ALPUEQDGQOLBPQ-HNNXBMFYSA-N 289.342 2.754 30 50 CFEA Cc1nc2c(s1)[C@H](N(C)c1cncc(C#N)n1)CCC2 333846543 MKUHZZQVNNERAI-GFCCVEGCSA-N 285.376 2.627 30 50 CFEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 204135717 HWXUCKBKLLHQIS-UHFFFAOYSA-N 287.090 2.708 30 50 CFEA C=C(C)[C@@H]1CC=C(CN(CC)CCN2CCOCC2)CC1 952864141 IPJQFPCPOVMHRY-GOSISDBHSA-N 292.467 2.943 30 50 CFEA NS(=O)(=O)c1ccc(/N=C/c2c[nH]c3ccccc23)cc1 588159 GJNKIAFRSWPYMO-RQZCQDPDSA-N 299.355 2.566 30 50 CFEA N#Cc1ccc(COC(=O)c2ccc(C=O)cc2)cc1 5013790 HEFDBTDUTVYKKS-UHFFFAOYSA-N 265.268 2.728 30 50 CFEA Cc1nc(C)c(C/N=C(/O)CN2CCCCCCC2=O)o1 329161507 FRCRWSBKGWUZMT-UHFFFAOYSA-N 293.367 2.541 30 50 CFEA Cc1cc(C#N)nc(Nc2ccc(NC3CCC3)nc2)n1 2325807302 PLSKDOSYWZVQHQ-UHFFFAOYSA-N 280.335 2.760 30 50 CFEA O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1O 444803 PLMQFSYKWPUFMJ-ZDUSSCGKSA-N 285.259 2.551 30 50 CFEA C=CCOc1cccc(CNCc2ccncc2)c1 2178170 QUMFDIMGKGQQDM-UHFFFAOYSA-N 254.333 2.936 30 50 CFEA O=C1Oc2ccccc2N/C1=C\C(=O)c1ccccc1 100296920 PHKWAFAXDNTAIQ-RAXLEYEMSA-N 265.268 2.784 30 50 CFEA N#CC1(NC(=O)c2ccnc(-c3ccccc3)c2N)CCC1 252497364 QEVQYEXDLMCZPN-UHFFFAOYSA-N 292.342 2.507 30 50 CFEA COc1ccc(N=C(O)c2ccc(CO)c(F)c2)c(C)n1 328594379 GPIHBZDCRMEECP-UHFFFAOYSA-N 290.294 2.666 30 50 CFEA CC(C)CN1CCc2nc(N)c(C#N)c(-c3ccoc3)c2C1 72151784 GSRLIWMXUPKBBK-UHFFFAOYSA-N 296.374 2.810 30 50 CFEA N#Cc1c(N2CCC[C@H]2c2cccnc2)nc2ccccn12 364675320 LTHRIEUGVRVBQF-AWEZNQCLSA-N 289.342 2.942 30 50 CFEA C[C@H](NC(=O)[C@]12C=CC(=O)[C@H]1[C@H]1C=C[C@H]2C1)c1ccccc1 252428176 SHGFSCRXFLSRDX-HEJKIZRWSA-N 293.366 2.811 30 50 CFEA CC(C)(C)C[C@H](NC(=O)[C@H]1CO1)c1ccc(F)cc1 1875372683 KTBAGYJQJMGLQC-QWHCGFSZSA-N 265.328 2.818 30 50 CFEA Cc1nnc(N2C[C@@H]3CC[C@]3(C(F)(F)F)C2)c(C#N)c1C 1776007408 AJURUERHYHMSFL-GWCFXTLKSA-N 296.296 2.744 30 50 CFEA N#Cc1ccc(NCc2cccc(Cn3cccn3)c2)cn1 301525291 PKQDHBUSCKDWEA-UHFFFAOYSA-N 289.342 2.810 30 50 CFEA C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F 2579121 VIEHKBXCWMMOOU-UHFFFAOYSA-N 268.128 2.939 30 50 CFEA in-vitro C=CCN(CC=C)C(=O)c1cn(C2CCCCC2)nn1 11817792 LJMLYRGIQDJHHC-UHFFFAOYSA-N 274.368 2.598 30 50 CFEA C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)=O 4943582 HUGUHZWTXLGEBQ-UHFFFAOYSA-N 291.738 2.925 30 50 CFEA N#C[C@H](C(=O)Nc1ccccc1F)c1ccc(F)cn1 122024802 MMMNYFYIPFJPQS-JTQLQIEISA-N 273.242 2.606 30 50 CFEA O/C(=N/CC1(c2ccccc2)CC1)c1cc2ncccn2n1 328592660 XMRAYLDBJDIQAQ-UHFFFAOYSA-N 292.342 2.766 30 50 CFEA CC(C)c1cc(N2CCC(C)(C#N)CC2)nc(N(C)C)n1 355579487 WUCKNFSVTIENSV-UHFFFAOYSA-N 287.411 2.796 30 50 CFEA CC#CC(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 283920713 YGFVNKVIGZBZLK-CABCVRRESA-N 275.323 2.528 30 50 CFEA CO[C@@]1(C)CCCN(c2c(C#N)cccc2C#N)CC1 373685692 VACROEUNDDPFSH-INIZCTEOSA-N 269.348 2.825 30 50 CFEA O=C(O)c1ccccc1C(=O)ONc1ccccc1 200054500 MCLACVSXIIOHHO-UHFFFAOYSA-N 257.245 2.569 30 50 CFEA CC[C@@H](CC#N)NC(=O)c1cccc([C@@H]2CCCN(C)C2)c1 585089455 NUIWMEJLVVSWCM-SJORKVTESA-N 299.418 2.918 30 50 CFEA CN(C)/C=C(/Cl)C=C1C(=O)c2ccccc2C1=O 19338254 GJKWXWXHALRNDQ-CMDGGOBGSA-N 261.708 2.634 30 50 CFEA CC(C)(C)OC(=O)n1cc(CO)c2cc(C#N)ccc21 2563743 CWAWIDMLDLCCNP-UHFFFAOYSA-N 272.304 2.788 30 50 CFEA in-vitro CCCCCCCCNc1nc(OC)nc(OC)n1 3182840 QDLOHKCLESDMSS-UHFFFAOYSA-N 268.361 2.661 30 50 CFEA Cc1nc(SCC(=O)C2CC2)c(C#N)c(C)c1C 208923 PJQRPTOOHBGFJZ-UHFFFAOYSA-N 260.362 2.950 30 50 CFEA N#Cc1cccc(/C=C/C(=O)N2C[C@H]3CC[C@H]2C3)c1 138375254 ZUSJYKMMVGTGHZ-CJKAQPIMSA-N 252.317 2.582 30 50 CFEA COc1c(F)ccc(CN2CCC(C#N)CC2)c1F 216418040 NTDMATBPUVLNLG-UHFFFAOYSA-N 266.291 2.709 30 50 CFEA CC[C@H](C)n1ncc(NC(O)=Nc2c[nH]nc2C)c1C 331125171 NKLKMUFCZSIGSX-QMMMGPOBSA-N 276.344 2.852 30 50 CFEA CC(C)(C)C[C@H](NC(=O)[C@@H]1CO1)c1ccc(F)cc1 1875372684 KTBAGYJQJMGLQC-STQMWFEESA-N 265.328 2.818 30 50 CFEA CC1(C)OB(c2ccccc2OC(F)F)OC1(C)C 169746440 ZIBYFIJKYIKOEX-UHFFFAOYSA-N 270.084 2.587 30 50 CFEA in-vitro CC1(C)OB(c2ccccc2OCC2CC2)OC1(C)C 169822428 VQJIGAHQIKKQPK-UHFFFAOYSA-N 274.169 2.775 30 50 CFEA in-vitro COCC[C@@H]1CCCCN(c2snc(C)c2C#N)C1 376399042 YINQWGRLZVFDFG-LBPRGKRZSA-N 279.409 2.966 30 50 CFEA N#CCCn1cc(/C=N/O)c(-c2ccc(Cl)cc2)n1 5715629 VRSYZZVIYZANOY-LZYBPNLTSA-N 274.711 2.925 30 50 CFEA CCOC(=O)c1c(C)oc2c(CC#N)cc(OC)c(O)c12 16667067 YEUSYCKISCQTDT-UHFFFAOYSA-N 289.287 2.698 30 50 CFEA CC#CC(=O)N(C)CCCc1cc(-c2ccccc2)no1 801145937 BXVGKCJCBPJUTB-UHFFFAOYSA-N 282.343 2.756 30 50 CFEA O=C(C[n+]1ccccc1Cl)c1ccc(F)cc1 1666156 MAZREDIFTZEJCB-UHFFFAOYSA-N 250.680 2.650 30 50 CFEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CC[C@@H](COC)C1)C2 106272083 JWBCRQBDINGLPP-JKIFEVAISA-N 277.408 2.864 30 50 CFEA C=C(C)COc1ccc(C(=O)N2CCCC[C@@H]2CO)cc1 55119781 YSKFQKWPVOYHLN-OAHLLOKOSA-N 289.375 2.629 30 50 CFEA CC(C)(C)[C@H]1OCC[C@@H]1CN/C(O)=N/CCc1ccco1 328618541 DVFQICMSWIFNOD-OCCSQVGLSA-N 294.395 2.777 30 50 CFEA C#CCCC1(CCC(=O)N2CCc3ccccc3CC2)N=N1 952882484 MPSUMWBXQMRLAV-UHFFFAOYSA-N 295.386 2.970 30 50 CFEA Cc1cnn(C2CCCC2)c1NC(=O)c1ccc(C#N)nc1 1506428909 ZFZXZAKMCAUBST-UHFFFAOYSA-N 295.346 2.826 30 50 CFEA CC1(C)OB(c2cc3cnccc3s2)OC1(C)C 169969468 VIMBSAWFKJOJKT-UHFFFAOYSA-N 261.155 2.596 30 50 CFEA N#Cc1ccc(N2CCC([C@@H]3CCOC3)CC2)c(F)c1 374640714 DKQFSKYHXXWOPW-CQSZACIVSA-N 274.339 2.950 30 50 CFEA N#Cc1cnc(NCC2(Br)CC2)c(Cl)c1 1262210106 LUEZNGPQHNAARB-UHFFFAOYSA-N 286.560 2.946 30 50 CFEA C#CCOc1ccc(-c2nc(-c3cccnc3)no2)cc1 8570566 TXZHKSVHZSZLHT-UHFFFAOYSA-N 277.283 2.811 30 50 CFEA CN(C)[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 72165095 HFTQYKWDTKBUIG-HNNXBMFYSA-N 286.379 2.506 30 50 CFEA C#CCCCCCOC(=O)c1cnc2cnccc2c1 585136226 WWGOVWASBFQMON-UHFFFAOYSA-N 268.316 2.980 30 50 CFEA N#C[C@H]1CSCCN1C(=O)c1ccc(Cl)cc1F 271784803 ZURVAADIBJGYJE-VIFPVBQESA-N 284.743 2.560 30 50 CFEA CCOc1cccc(/C=N/n2c(C)n[nH]c2=S)c1 454798 VGRHXDMNEMXUSY-MDWZMJQESA-N 262.338 2.530 30 50 CFEA Cc1ccc(C)c(C(=O)O/N=C(\N)c2ccccc2)c1 5059409 BAPQOXTUNCXSNO-UHFFFAOYSA-N 268.316 2.781 30 50 CFEA CC1(C)OB(c2csc([C@H]3CCCNC3)c2)OC1(C)C 169745798 PRNSVEVZAQBDQO-NSHDSACASA-N 293.241 2.514 30 50 CFEA COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1 15635862 KQIKRDLGFQRRBF-UVTDQMKNSA-N 279.295 2.914 30 50 CFEA N#Cc1cc(N[C@@H]2c3ccccc3CC23CC3)ncn1 2325797367 IQSGJWVIVYAWGT-OAHLLOKOSA-N 262.316 2.838 30 50 CFEA C=CCn1c([C@@H](C)NC(=O)CC)nc2ccccc21 2721377 JKNPBCPMTRTHPB-LLVKDONJSA-N 257.337 2.810 30 50 CFEA Cc1cc(C(F)(F)C(F)(F)F)n2ncc(C#N)c2n1 2758667 RLFZNHWLGPUQKV-UHFFFAOYSA-N 276.168 2.564 30 50 CFEA Cc1cc2nnc(S[C@H](C#N)C3CCCC3)n2c(C)n1 952994763 LTYMSCYLLRDIRU-GFCCVEGCSA-N 287.392 2.916 30 50 CFEA COc1cccc(/C=N/OC[C@@H]2[C@@H](C)C2(F)F)c1OC 1875280954 IFHSWJIOUUZZIV-HOHUASGISA-N 285.290 2.956 30 50 CFEA C=CCN(C)CCSc1nnc(-c2cccs2)n1C 585118941 JGRUMQJXBFGTET-UHFFFAOYSA-N 294.449 2.754 30 50 CFEA Fc1cccc(/C=N/n2c(S)nnc2-c2ccncc2)c1 1252803 PTVYYBYJTQSPON-RQZCQDPDSA-N 299.334 2.650 30 50 CFEA O=C(O)CC1=C(c2ccc(-c3cc[nH]n3)cc2)CCC1=O 19300518 KUZAQNPBZLKUQA-UHFFFAOYSA-N 282.299 2.668 30 50 CFEA COc1ccc(C#N)cc1-c1cccc2nc(O)[nH]c12 1857712586 RKHDLPAANPSQIV-UHFFFAOYSA-N 265.272 2.816 30 50 CFEA N#Cc1c(F)cc(CN=c2nc(C3CC3)[nH]s2)cc1F 594873934 UFDCHHYKJZBTPT-UHFFFAOYSA-N 292.314 2.599 30 50 CFEA C=CCn1cc(CN2CC(Oc3ccccc3C)C2)c(C)n1 55154538 ONTICIBVRUMPIQ-UHFFFAOYSA-N 297.402 2.949 30 50 CFEA N#Cc1ccc(Cl)c(I)c1 39937521 WUNSVSXKDMQXSB-UHFFFAOYSA-N 263.465 2.816 30 50 CFEA CC(=O)c1ccc(NC=C2C(=O)CC(C)CC2=O)cc1 2582104 FSQKAPKEPZVICS-UHFFFAOYSA-N 271.316 2.753 30 50 CFEA COc1ccc(NC(=O)CC#N)c(C(F)(F)F)c1 274625318 MGIIDCGULCRRKR-UHFFFAOYSA-N 258.199 2.566 30 50 CFEA CSc1cccc(B2OC(C)(C)C(C)(C)O2)c1 169747846 SVJUVGVKTGZKCG-UHFFFAOYSA-N 250.172 2.708 30 50 CFEA in-vitro CC(=O)N1/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)c2ccccc21 2785058 WVNHVCNRJNYZNX-MDWZMJQESA-N 298.254 2.778 30 50 CFEA O=C(N=C1CCON1)N1CCC[C@@H]1c1cc(F)ccc1F 2325807905 FSGGYRNPUKUTAN-GFCCVEGCSA-N 295.289 2.545 30 50 CFEA COc1ccc(NC(=O)CSc2ncccc2C#N)cc1 7051459 VXENXHVGXXKCDZ-UHFFFAOYSA-N 299.355 2.693 30 50 CFEA C[C@H]1/C=C\C=C/[C@H]2[C@H](/C=C\1)C(C#N)(C#N)C2(C#N)C#N 101137904 VROSBNGGMQNCCD-HAGIEYFXSA-N 260.300 2.618 30 50 CFEA CCC[C@@]1(CO)CCCN1c1ccc(C#N)cc1[N+](=O)[O-] 225518454 UKUKRFNBVNKLCW-HNNXBMFYSA-N 289.335 2.598 30 50 CFEA C=C/C(O)=N/C1(c2nc(C)cs2)CCOCC1 328596997 CIEGOIMGZVHWCI-UHFFFAOYSA-N 252.339 2.600 30 50 CFEA N#Cc1c(Br)cccc1N1CCSCC1 95495730 OYWBTWMUNATRKI-UHFFFAOYSA-N 283.194 2.874 30 50 CFEA N#C[C@@H]1CCCN(C(=O)Nc2ccc(-n3cccn3)cc2)C1 299785814 MFSNMOSINAHJFC-ZDUSSCGKSA-N 295.346 2.640 30 50 CFEA Fc1ccccc1COc1ccc(/C=N/n2cnnc2)cc1 459686 RYDSZZJLTKZIGY-AWQFTUOYSA-N 296.305 2.878 30 50 CFEA C(=N/c1ccc2c(c1)OCO2)\c1ccc2c(c1)OCO2 3182380 MBFAHFDNCWWZPN-FRKPEAEDSA-N 269.256 2.895 30 50 CFEA ON=Cc1ccccc1OCc1cn2ccccc2n1 252452283 AOYSLDHTDNNBDE-UHFFFAOYSA-N 267.288 2.721 30 50 CFEA CC1(C#N)CCN(C[C@H]2CCOC(C)(C)C2)CC1 826679655 IVJOXLSHHDIULX-ZDUSSCGKSA-N 250.386 2.817 30 50 CFEA C#CCCC1(CCC(=O)N2CCC3(CC2)CC3)N=N1 952881453 HGARNERAYZNDAH-UHFFFAOYSA-N 259.353 2.745 30 50 CFEA CC(C)C[N@@]1C[C@H]1COc1ccc(C#N)c(Cl)c1 1875378538 FVKUSACITLSUER-SJCJKPOMSA-N 264.756 2.931 30 50 CFEA CC(C)(C)OC(=O)N1CCC[C@]2(C=O)CCC[C@H]12 1772716272 DIMDOBRGSSYNEH-FZMZJTMJSA-N 253.342 2.755 30 50 CFEA N#Cc1c[nH]c(C(=O)Nc2cc(C(F)(F)F)ccn2)c1 170593491 JCPNHDPPWXNLQN-UHFFFAOYSA-N 280.209 2.552 30 50 CFEA CN1/C(=C/c2ccccc2)C(=O)c2ccccc2S1(=O)=O 5274931 KNHQYELRNOVLAN-SDNWHVSQSA-N 299.351 2.545 30 50 CFEA CCSc1cccnc1C(=O)N1CCC[C@@](C)(C#N)C1 590705540 GFWDYAXVNVUGPC-HNNXBMFYSA-N 289.404 2.959 30 50 CFEA N#Cc1cc(C(F)(F)F)ccc1NC[C@@H](N)C1CC1 129305360 RRUBECYCDDYHPS-LLVKDONJSA-N 269.270 2.726 30 50 CFEA COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c1 4488873 ADORTGRDBFJGJA-ZDUSSCGKSA-N 299.370 2.942 30 50 CFEA CC(C)Nc1ccc(/C(O)=N/[C@@H]2CCO[C@@H]2C2CC2)cn1 328901658 ZIZNJZHIIJODIX-UKRRQHHQSA-N 289.379 2.774 30 50 CFEA CCn1ccnc1[C@H]1CCCN(c2nc(C)ccc2C#N)C1 91603213 KBTCFOKPXMTILZ-HNNXBMFYSA-N 295.390 2.862 30 50 CFEA CC1(C)OB(c2cncc(NC3CCCC3)c2)OC1(C)C 169794684 BBHBMOKSDGCZLH-UHFFFAOYSA-N 288.200 2.735 30 50 CFEA C/C(=N\N1CCN(c2ccccn2)CC1)c1ccccc1 5369892 POBJBXSIBOEVHK-XDJHFCHBSA-N 280.375 2.628 30 50 CFEA CCc1cnccc1[C@H](C)/N=C(/O)c1cnn(C)c1C 330645946 GUQCKSKCLBZEKK-JTQLQIEISA-N 272.352 2.752 30 50 CFEA Cc1cc(=NCc2ccc(OC(C)(C)C)nc2)c(C#N)c[nH]1 425245480 JLUHMTZDSNIRGL-UHFFFAOYSA-N 296.374 2.868 30 50 CFEA COc1ccc2c(c1)CCN(c1ncccc1C#N)CC2 95380895 LRWOWODBBXPDEP-UHFFFAOYSA-N 279.343 2.567 30 50 CFEA N#Cc1cc(C(F)F)c(Br)cc1C(=O)O 263623237 FVMWLZVINIEYEQ-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA CCn1nccc1/C=C/C(=O)c1cccc(CN(C)C)c1 585086263 BFCSVICFLJLVRA-CMDGGOBGSA-N 283.375 2.861 30 50 CFEA CCOC(=O)c1nc2n(c1-c1cccc(C#N)c1)CCCC2 1616035768 GHCMMDOQBQVFJG-UHFFFAOYSA-N 295.342 2.935 30 50 CFEA COc1cccc2c(C)cc3nnc(SCC#N)n3c12 11903238 JLAYSRJMUXDVOW-UHFFFAOYSA-N 284.344 2.815 30 50 CFEA CC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)cc1 6761624 GABJWTXMMJYRHL-LBPRGKRZSA-N 264.712 2.557 30 50 CFEA C=CCN(CC=C)CCOc1ccccc1[N+](=O)[O-] 20272802 YEKOJFGQIITZEY-UHFFFAOYSA-N 262.309 2.648 30 50 CFEA C#Cc1cccc(NC2=NN=C(C(C)(C)OC)CS2)c1 252500505 SWZJTORTAUJXKH-UHFFFAOYSA-N 287.388 2.964 30 50 CFEA COc1nccc(-c2ccnc3c2ccn3C)c1C#N 72481587 OXEZCQHNVOQBNZ-UHFFFAOYSA-N 264.288 2.516 30 50 CFEA C=C(C)COc1ccc(NC(=O)[C@@H]2CCCO2)cc1 952961719 YPWOBZQRBVPCBR-AWEZNQCLSA-N 261.321 2.759 30 50 CFEA N#Cc1cccnc1N1CCCC[C@@H]([C@@H]2CCOC2)C1 897567449 BRMBDFVHQIIBDX-HUUCEWRRSA-N 271.364 2.596 30 50 CFEA CC#CC(=O)Nc1cnn(-c2ccccc2)c1CCC 408515890 DAOOAGGVJGPIFP-UHFFFAOYSA-N 267.332 2.787 30 50 CFEA N#C[C@@H](Cc1cccc([N+](=O)[O-])c1)OC(=O)c1ccccc1 2164879 JUGLQVFABUTRTJ-OAHLLOKOSA-N 296.282 2.886 30 50 CFEA C#C[C@H](C)N(C)Cc1ccc(Oc2cnccn2)cc1 225587427 KAQAXOJCJHLXSU-ZDUSSCGKSA-N 267.332 2.722 30 50 CFEA C=CCN1CCN(C(=O)c2ccc(CCC)cc2)CC1 55058995 HYGYPXGYVHYMHP-UHFFFAOYSA-N 272.392 2.583 30 50 CFEA CC(=O)N(C[C@H]1CCCN1CCCC(C)(C)C#N)C1CC1 328630948 JYEOKBSBLSYWLD-MRXNPFEDSA-N 291.439 2.792 30 50 CFEA Cn1nc(CN2CCC[C@@H](C#N)C2)c2c(Cl)cccc21 215583943 PUFYGAPHIXWTKK-NSHDSACASA-N 288.782 2.962 30 50 CFEA CCCCCCC[C@H](C(=O)OCC)N1CCOCC1 97973042 VABJQXOWMUGREP-CQSZACIVSA-N 271.401 2.611 30 50 CFEA C=CCCCS(=O)(=O)N[C@H](C)c1ccccc1N(C)C 888095525 LVSURGCZKDVIEJ-CYBMUJFWSA-N 296.436 2.699 30 50 CFEA C/C(O)=N/c1nc(SCCc2ccccc2)n[nH]1 432262 NTMAWJXCFZIAMF-UHFFFAOYSA-N 262.338 2.747 30 50 CFEA COC(=O)/C(=C\Nc1cccc2ccccc12)[N+](=O)[O-] 100432306 QGTCPZHFCQVWKS-UKTHLTGXSA-N 272.260 2.543 30 50 CFEA C/C(=N\NC(=S)NCc1cccs1)c1ccccn1 1857795455 SOSCRFSDWULOLD-MHWRWJLKSA-N 290.417 2.531 30 50 CFEA N#Cc1nc(-c2ccccc2F)oc1NC[C@H]1CCCO1 467307 GIFJLEHILMQHQT-SNVBAGLBSA-N 287.294 2.943 30 50 CFEA COc1cc(Br)c(CCC#N)cc1OC 1559672 PKRKQYZQPMFUJG-UHFFFAOYSA-N 270.126 2.922 30 50 CFEA CN1CCc2nc(SCc3cccnc3)c(C#N)cc2C1 20059864 XDOOELGLBBEVRF-UHFFFAOYSA-N 296.399 2.628 30 50 CFEA Cc1occc1/C(O)=N/C[C@H]1CCO[C@@H]1C(C)C 328616049 ZUQQTWSTVKDGOY-DGCLKSJQSA-N 251.326 2.954 30 50 CFEA C=C/C(O)=N/[C@@H](CC)CS(=O)(=O)c1ccc(C)c(C)c1 328600741 ZKPRVRMSOQVETB-ZDUSSCGKSA-N 295.404 2.998 30 50 CFEA CCC[C@H]1O[C@@]23CCCC[C@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3 245325663 GXTWAXDCKTXFAL-UAXWRAGISA-N 298.346 2.623 30 50 CFEA CC(C)(C)n1cc(/C=C/C(=O)c2cccc3c2OCO3)nn1 585136075 PASUMFMMASSMMV-BQYQJAHWSA-N 299.330 2.658 30 50 CFEA C=CCC1(C(=O)N2CC[C@@H](Oc3cccnc3)C2)CCC1 170611226 VLBMZXFSTKBWSX-OAHLLOKOSA-N 286.375 2.808 30 50 CFEA C[C@H](c1cccc(C#N)c1)N1CCC(Cn2cncn2)CC1 190039312 BKIGXEYHEWVRML-CQSZACIVSA-N 295.390 2.623 30 50 CFEA CC(C)(C)OC(=O)CCC(=O)Nc1ccc(F)cc1C#N 191917276 GMZUNFTUOBMZMV-UHFFFAOYSA-N 292.310 2.758 30 50 CFEA C=C[C@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2OC)C1 1506408450 YFRLPDMBBNFZRX-ZDUSSCGKSA-N 295.404 2.509 30 50 CFEA C[C@H]1C=CC=C[C@H]2[C@H](C=C1)C(C#N)(C#N)C2(C#N)C#N 1501065325 VROSBNGGMQNCCD-IHRRRGAJSA-N 260.300 2.618 30 50 CFEA CSc1nsc(N=C(O)N2CC[C@H]3CCC[C@@H]32)n1 330247284 LPQZHEIYBQGGRM-SFYZADRCSA-N 284.410 2.680 30 50 CFEA CSC(=N)/N=c1/sc2ccccc2n1CCS 5344920 WSKSSMUVKAEXHC-SQBYBMFESA-N 283.447 2.831 30 50 CFEA Cc1nc(Cl)cc(N/N=C/c2ccc(N(C)C)cc2)n1 4595581 UZFADNHPRVBCMD-CXUHLZMHSA-N 289.770 2.950 30 50 CFEA Cc1noc([C@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)n1 332219459 VJMFXDGBCYADST-NHYWBVRUSA-N 282.347 2.800 30 50 CFEA C=CCN(CC=C)C(=S)Nc1ccc2c(c1)OCO2 621332 AYCJTWPDZQCVBP-UHFFFAOYSA-N 276.361 2.786 30 50 CFEA Cc1nn(C)cc1-c1cc(C(F)F)nc(S)c1C#N 2558567 PAFXMCFOCKTFDG-UHFFFAOYSA-N 280.303 2.889 30 50 CFEA CCCCCCCc1c(C)nc(N2CCOCC2)nc1O 8828733 MIEXTCFOSLOJFZ-UHFFFAOYSA-N 293.411 2.840 30 50 CFEA CC1(C)OB(c2ccc3nc(S)sc3c2)OC1(C)C 170005651 CNUJUEOTQKLABQ-UHFFFAOYSA-N 293.222 2.884 30 50 CFEA C#CCN(Cc1ccc(F)cc1)C(=O)c1cncc(F)c1 126077314 GBGVUUKCYYJETB-UHFFFAOYSA-N 286.281 2.635 30 50 CFEA CC(=O)N(C1CCC1)[C@@H]1CCCN(CCCC#N)CC1 328654668 XPIJCUXNCSUTTE-MRXNPFEDSA-N 277.412 2.546 30 50 CFEA Oc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1 4229755 GRDLPUUYRVMQPX-XNTDXEJSSA-N 277.393 2.523 30 50 CFEA in-vivo COc1ccc(C(=O)/C=C/c2ncc(Cl)n2C)c(O)c1 5603614 RLAJQVHYFZIVGM-AATRIKPKSA-N 292.722 2.684 30 50 CFEA COc1ccc(/C=N/C[C@H](O)c2ccccc2)cc1 244694 CAGMSXRZMNJGMT-KTZOAPACSA-N 255.317 2.848 30 50 CFEA biogenic,in-vitro Cc1nc([C@@H]2CCCCN2Cc2ccc(C#N)c(F)c2)n[nH]1 408473301 BTCSBMBIAMFBSP-HNNXBMFYSA-N 299.353 2.851 30 50 CFEA Cc1occc1SCC(=O)NC1(C#N)CCCC1 131560267 HWANDESQKDIZDP-UHFFFAOYSA-N 264.350 2.633 30 50 CFEA Cc1ccc2nccc(C(=O)N3CCC[C@@H](C#N)C3)c2c1 220312432 COGUYVNHRHFZES-ZDUSSCGKSA-N 279.343 2.919 30 50 CFEA C=CCNCC[C@@H]1CCC(=O)N1Cc1ccccc1Cl 299777022 NFRBKIKEZMXVFP-AWEZNQCLSA-N 292.810 2.997 30 50 CFEA C=C[C@H]1CCN(Cc2ccc(OCCN(C)C)cc2)C1 820443835 NMWYQAXRPDMQKI-HNNXBMFYSA-N 274.408 2.635 30 50 CFEA C=C(C)CN1CCN(Cc2ccc3ncccc3c2)CC1 952961518 XWWQRUBAFAEACS-UHFFFAOYSA-N 281.403 2.929 30 50 CFEA N#Cc1cccnc1N1CCCC[C@H]([C@H]2CCOC2)C1 897567448 BRMBDFVHQIIBDX-GJZGRUSLSA-N 271.364 2.596 30 50 CFEA COc1ccccc1N1CCN(/N=C/c2ccccc2)CC1 46642 JULOIJGYISWIHJ-XDJHFCHBSA-N 295.386 2.851 30 50 CFEA CC[C@H](CC#N)NC(=O)c1cc(NC)ccc1Cl 425249347 DIBHVOHJDZMNRX-SECBINFHSA-N 265.744 2.804 30 50 CFEA N#Cc1ccccc1Oc1ncc(Br)cn1 16696649 ZUOADFNKCASAFB-UHFFFAOYSA-N 276.093 2.903 30 50 CFEA CC(=O)c1ccc(/N=C2\N=C(N)c3ccccc32)cc1 18044297 LULWRIGCPOCYJI-UHFFFAOYSA-N 263.300 2.686 30 50 CFEA Cc1ccccc1[C@@H](c1c(O)n[nH]c1C)C(C#N)C#N 1030469 HPULGKRZFGYYPM-AWEZNQCLSA-N 266.304 2.527 30 50 CFEA COCCCNc1oc(-c2ccccc2)nc1C#N 1738801 QXDDQRFPDUNVNN-UHFFFAOYSA-N 257.293 2.662 30 50 CFEA Cc1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2[nH]1 170015788 GTGXBZPFDNAVMM-UHFFFAOYSA-N 257.142 2.776 30 50 CFEA Cc1nn(-c2cc(Cl)ccc2Cl)c(N)c1C#N 38537065 JDXOZUVWSUHWFR-UHFFFAOYSA-N 267.119 2.941 30 50 CFEA in-vitro N#Cc1cccc(N2CCC([C@@H](O)c3cccs3)CC2)n1 1506413837 MASRZKUBMBHKLI-MRXNPFEDSA-N 299.399 2.965 30 50 CFEA CCN1CC[C@H](CN(C)c2nc(C)c(C)c(C)c2C#N)C1 1529162129 WQVNGCMSKZMQQZ-OAHLLOKOSA-N 286.423 2.657 30 50 CFEA CCS[C@@H]1CCC[C@@H]1NC[C@@H](O)c1ccc(C#N)cc1 233987136 ZRNJTVBNDVYZIX-ARFHVFGLSA-N 290.432 2.855 30 50 CFEA C[C@@]1(NCCCC2(C#N)CCOCC2)CCO[C@@H]1C1CC1 366912898 NBTNZWWHEVWQMJ-HZPDHXFCSA-N 292.423 2.634 30 50 CFEA CN(C)/C=N/c1ccc(Br)cc1C#N 98086093 ZGEYANFICVYJSY-NTUHNPAUSA-N 252.115 2.542 30 50 CFEA CC#CC(=O)N[C@@H](Cc1cccc(O)c1)c1ccccc1 1875363251 NYADHUCCPDBZEN-KRWDZBQOSA-N 279.339 2.816 30 50 CFEA C#C[C@H](N[C@H]1CCOC1)c1ccc(Br)cc1 585117130 RNYHGSDQMJXTLO-STQMWFEESA-N 280.165 2.502 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1c2ccccc2C[C@H]1CO 585126546 BSCFLJXXTANZGB-JSGCOSHPSA-N 259.349 2.539 30 50 CFEA C=C[C@H](c1ccccc1)c1nc(C(C)(C)NC(C)=O)no1 1615615246 WNPNYUOWWHNTML-CYBMUJFWSA-N 285.347 2.759 30 50 CFEA C=CCN(Cc1ccccc1OC)Cc1nccn1C 55384485 WMGMUCQWEMQFBV-UHFFFAOYSA-N 271.364 2.617 30 50 CFEA N#CCCN(Cc1ccccc1)C(=O)c1cccnc1 36563438 TTZJRTLRWZNKST-UHFFFAOYSA-N 265.316 2.638 30 50 CFEA COc1ccccc1-c1c(C#N)c(N)nc2c1CO[C@@H]2C 71755149 OYMADRFLMRYUHZ-SECBINFHSA-N 281.315 2.802 30 50 CFEA CCC(CC)(CO)CN(C)C(=O)c1cc(F)cc(C#N)c1 952984617 PTIRZIBBYMFJJH-UHFFFAOYSA-N 292.354 2.568 30 50 CFEA Cc1nc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)n[nH]1 1775987781 IQHISGPIEAATOW-MEBBXXQBSA-N 281.363 2.713 30 50 CFEA CSc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169794282 QECMXXYJBBIFRJ-UHFFFAOYSA-N 250.172 2.708 30 50 CFEA in-vitro C#CCCCCCCNCc1nncn1-c1ccccc1 585117384 ZWCHWNBOHKIRNC-UHFFFAOYSA-N 282.391 2.941 30 50 CFEA OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1852601 JCMNMOBHVPONLD-UHFFFAOYSA-N 264.087 2.837 30 50 CFEA in-vitro CC(C)OCCCNc1cc(C#N)sc1[N+](=O)[O-] 407272683 VQTSNBYCHJEDOR-UHFFFAOYSA-N 269.326 2.755 30 50 CFEA O=C1C=C(NCc2ccccc2)C(=O)c2ccccc21 4262829 DCPOAJXJBIMQSU-UHFFFAOYSA-N 263.296 2.739 30 50 CFEA biogenic O=C1C=C[C@H](O)O[C@@H]1c1ccc(-c2ccccc2)cc1 71772343 YQKGLCAKZGUEOB-IAGOWNOFSA-N 266.296 2.869 30 50 CFEA C=C[C@@H]1CCN(C(=O)NCc2sc(C)nc2CC)C1 584890920 MFLJTYPJQRAZLF-LLVKDONJSA-N 279.409 2.731 30 50 CFEA N#CC1(c2nc(-c3cccn4ncnc34)no2)CCCCC1 1875275648 NSLUXMPARMTPOP-UHFFFAOYSA-N 294.318 2.505 30 50 CFEA CC(C)[C@H](O)C1(CNc2ccc(C#N)cc2F)CC1 271903910 ZVCFWWUWZLXAHW-AWEZNQCLSA-N 262.328 2.906 30 50 CFEA N#Cc1cccnc1N1CCC[C@@H]1c1nc2c([nH]1)CCCC2 275388715 AJTLNUFWHSTFFO-OAHLLOKOSA-N 293.374 2.897 30 50 CFEA N#Cc1nc(N2CCc3ccccc3[C@H]2CO)ccc1Cl 563423610 HKZKCLNREHMXFG-OAHLLOKOSA-N 299.761 2.703 30 50 CFEA CC1(C)OB(c2c(F)cccc2Cl)OC1(C)C 242688214 VKTLHYCBHWLRAO-UHFFFAOYSA-N 256.513 2.778 30 50 CFEA in-vitro C=CCNCc1nc2cc(C(F)(F)F)ccc2n1C 119567706 DBMWNYSDROONNK-UHFFFAOYSA-N 269.270 2.868 30 50 CFEA CC[C@@]1(O)CCN(c2ccc(C#N)c(Cl)c2)C1 390835600 RYYXRMMXYYXGMP-CYBMUJFWSA-N 250.729 2.563 30 50 CFEA C/C(=N\N=C\c1ccccc1O)c1ccccc1O 4997276 JJTNJEVKKPKKLH-OTYYAQKOSA-N 254.289 2.941 30 50 CFEA N#Cc1ncc(Br)cc1C(F)(F)F 72187477 VOZKRLOGKCRQIZ-UHFFFAOYSA-N 251.005 2.735 30 50 CFEA in-vitro Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3[C@H]2[C@H]2C=C[C@H]23)cc1 216406216 IXJFKIGVJVLUOZ-XLWJZTARSA-N 276.357 2.521 30 50 CFEA C=C(CO[C@H]1CCCCO1)CO[C@H]1CCCCO1 45071939 VGPBPFWGWVBRPL-KBPBESRZSA-N 256.342 2.629 30 50 CFEA C=C(C)COc1ccccc1NC(=O)NC1CCOCC1 95529918 IGNJDBISEBLOAA-UHFFFAOYSA-N 290.363 2.942 30 50 CFEA CC#CC(=O)N[C@H]1CCC[C@H]1CCc1ccccc1 1875379455 QOIWVLXIZOWQBT-HOTGVXAUSA-N 255.361 2.927 30 50 CFEA Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)ccn1 280228306 XHVJKKLTWNCJQZ-ZDUSSCGKSA-N 257.337 2.544 30 50 CFEA N#Cc1cccc(OCc2ccc(C(=O)O)cc2)c1 2882807 PUBVZPFXMHMAMC-UHFFFAOYSA-N 253.257 2.835 30 50 CFEA Oc1ccccc1[C@H](C#Cc1ccccc1)N1CCOCC1 19368527 JJGXBEHOZAMDAR-SFHVURJKSA-N 293.366 2.817 30 50 CFEA Cc1nn2c(N)c(C#N)cnc2c1-c1cccc(Cl)c1 9287614 GZAOUOLWWYARHT-UHFFFAOYSA-N 283.722 2.812 30 50 CFEA C=CCNC(=S)NC(=O)c1ccc(Cl)cc1Cl 1794161 IHJOQNXAKOJWCW-UHFFFAOYSA-N 289.187 2.784 30 50 CFEA CCOC(=O)CSc1nc2c(cc1C#N)CCCCC2 3894020 UZGMPMKAHOKCDY-UHFFFAOYSA-N 290.388 2.877 30 50 CFEA O=[N+]([O-])c1ccc(/C=N\Nc2nc3ccccc3[nH]2)cc1 31939360 OWDSNDZARSGGNT-DHDCSXOGSA-N 281.275 2.917 30 50 CFEA N#CC1(C#N)C(c2ccc(Cl)cc2)C1(C#N)C#N 1383830 LTYGTIODGMSSFP-UHFFFAOYSA-N 252.664 2.504 30 50 CFEA C[C@H](C#N)CNC[C@H]1CCCCN1C(=O)OC(C)(C)C 235114507 VWDJVKAVRGYWSR-CHWSQXEVSA-N 281.400 2.525 30 50 CFEA OC(CN1C=C/C(=C2/C=CC=[S+]2)N=C1)=Nc1ccccc1 328579835 BKHQYFYOFWPCLG-CCEZHUSRSA-O 296.375 2.798 30 50 CFEA Sc1nnc(-c2ccccc2)n1N=Cc1cccnc1 244712722 KVLBOHIKTCDLMC-UHFFFAOYSA-N 281.344 2.511 30 50 CFEA CC1(C)OB(c2ccc3cc(O)ccc3c2)OC1(C)C 169747309 FEOQRVDXBOSJLZ-UHFFFAOYSA-N 270.137 2.845 30 50 CFEA in-vitro CC1=C/C(=N\S(=O)(=O)c2ccc(C)cc2)C(C)=CC1=O 84010 IGBJPTBUXJUUFR-JQIJEIRASA-N 289.356 2.600 30 50 CFEA N#Cc1c(/N=C/N2CCOCC2)sc2c1CCCCC2 19854431 XCFKEYDXZQLRIS-GZTJUZNOSA-N 289.404 2.881 30 50 CFEA C=CCOc1ccc(CNC[C@H]2CCCO2)cc1OC 2619087 KSFVIUQQHDLFHD-CQSZACIVSA-N 277.364 2.529 30 50 CFEA in-vitro O=C(OCC#CCOC(=O)c1ccccc1)c1ccccc1 2991612 QFMWXECDLWDFTN-UHFFFAOYSA-N 294.306 2.704 30 50 CFEA CCCCN(CC)C(=O)C[n+]1csc2ccccc21 3106418 ZOLWSVNNWWOTRC-UHFFFAOYSA-N 277.413 2.837 30 50 CFEA Cc1n(C)c2ccccc2[n+]1CC(=O)c1ccccc1 3251882 JYDADMZPQUBPRJ-UHFFFAOYSA-N 265.336 2.657 30 50 CFEA N#Cc1ccccc1OCc1ccc2c(n1)NCC2 2356156793 REKNDJQDDFIEEK-UHFFFAOYSA-N 251.289 2.500 30 50 CFEA CCCCCCCCCCCC(=O)OC[C@H](O)CO 8437476 ARIWANIATODDMH-CQSZACIVSA-N 274.401 2.804 30 50 CFEA in-vitro Cc1cccc(N/N=C(/C=O)C(=O)c2cccs2)c1 1382620 UBIDKRJKRGCJGW-VBKFSLOCSA-N 272.329 2.906 30 50 CFEA OC(=Nc1cnc2c(c1)CCCC2)[C@@H]1C[C@]12CCOC2 329671899 SHUGASPRPJRMFJ-BBRMVZONSA-N 272.348 2.975 30 50 CFEA CC(C)Oc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 211233140 XDYMKFWQGLKSAV-UHFFFAOYSA-N 280.148 2.912 30 50 CFEA COc1ccc(CCN)cc1-c1cccc(C#N)c1 42936065 CKXPPFHSGUGGQW-UHFFFAOYSA-N 252.317 2.735 30 50 CFEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(O)ccc1Cl 290929299 RSDLBPKWJZXIFA-IINYFYTJSA-N 295.766 2.757 30 50 CFEA C=C(C)C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12 253389825 NCRJWESTCYMYTR-LZWOXQAQSA-N 252.378 2.515 30 50 CFEA biogenic C=C(C)CCC(=O)N1CCC(=O)Nc2ccccc21 1338266507 JVWBGYZZMYMSRL-UHFFFAOYSA-N 258.321 2.718 30 50 CFEA CC(C)(C)OC(=O)N1CC[C@H]1c1noc(C(C)(C)C#N)n1 1615548264 CQVWXCMTJJEDMO-VIFPVBQESA-N 292.339 2.553 30 50 CFEA Cc1ccccc1/C=N/n1c(S)nnc1-c1cccnc1 1308216 NBNOVDQLFSLOKT-LICLKQGHSA-N 295.371 2.819 30 50 CFEA CCOc1cc(/C=N/CC(OCC)OCC)ccc1OC 4532761 VSUYDBXITZKFCK-GZTJUZNOSA-N 295.379 2.912 30 50 CFEA CC(=O)C(=NNc1cccc(C(F)(F)F)c1)C(C)=O 83986 QXNTVEFIHAGSDS-UHFFFAOYSA-N 272.226 2.651 30 50 CFEA CC[C@@H](CC#N)NC(=O)Nc1cc(F)cc(OC)c1 157692423 XZJAIGULHJQEIS-JTQLQIEISA-N 265.288 2.648 30 50 CFEA Cc1cc(-n2cccn2)ccc1CN1CCC[C@@H](C#N)C1 97288851 OPRNHYDUTAQYTA-HNNXBMFYSA-N 280.375 2.916 30 50 CFEA CCOC(=O)c1cc(Br)c(F)cc1C#N 263625099 WSOVKENFAFUDBT-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA COc1cc(SC)cc(B2OC(C)(C)C(C)(C)O2)c1 169936349 BBSUWBVUXWRNDY-UHFFFAOYSA-N 280.198 2.716 30 50 CFEA in-vitro CC1(C)OB(c2ccc(F)cc2OC(F)F)OC1(C)C 199680675 AQUNEWWXRQKTHC-UHFFFAOYSA-N 288.074 2.726 30 50 CFEA in-vitro CCN1C(=O)CS/C1=N\[C@@H](C)Cc1ccccc1 15938140 BNLAJLJVTJJWBR-ICFTUWFRSA-N 262.378 2.569 30 50 CFEA COc1cc(Cl)cc(C)c1B1OC(C)(C)C(C)(C)O1 201160511 KGUUEDHYGGLXHK-UHFFFAOYSA-N 282.576 2.956 30 50 CFEA C=CCC1(C(=O)O)CN(Cc2ccc(Cl)cc2O)C1 1857530105 UHPFQZICKYXCBJ-UHFFFAOYSA-N 281.739 2.508 30 50 CFEA CC1(C)CC(=NO)CC(C)(C)N1OC(=O)c1ccccn1 91684 BKUKTIPKVVKNQY-UHFFFAOYSA-N 291.351 2.637 30 50 CFEA CCOC(=O)c1ccccc1NC(=O)C#Cc1ccccc1 6725710 AGSJCEZQKHIHOP-UHFFFAOYSA-N 293.322 2.854 30 50 CFEA C#CCCC1(CCC(=O)N2CCC[C@@H](COC)CC2)N=N1 952882443 MILPYJRUFJZGKI-CQSZACIVSA-N 291.395 2.617 30 50 CFEA Cc1nc([C@@H]2CCCCN2Cc2ccccc2C#N)n[nH]1 408473313 IMJUOZUNHDVUNL-HNNXBMFYSA-N 281.363 2.712 30 50 CFEA CC[C@H](Oc1ccccc1F)C(=O)N[C@H]1CC[C@H](C#N)C1 170598036 WXDJCKADIBQUIR-OBJOEFQTSA-N 290.338 2.792 30 50 CFEA N#CCC1CN(C(=O)CC(C2CCC2)C2CCC2)C1 600098729 HZHMILBIYLZSKX-UHFFFAOYSA-N 260.381 2.965 30 50 CFEA N#Cc1cc(Br)ccc1N1CC(F)(F)C1 169725882 SHVXGTPIFLZNJH-UHFFFAOYSA-N 273.080 2.776 30 50 CFEA CN(Cc1ccc(/C=N/O)cc1)C(=O)OC(C)(C)C 147626416 WKSRJEIRMWCSMS-OQLLNIDSSA-N 264.325 2.862 30 50 CFEA in-vitro CCOC(=O)[C@@H]1[C@H](B2OC(C)(C)C(C)(C)O2)[C@@H]1C(C)C 1857779457 VPNDMGPIMQLSHB-GRYCIOLGSA-N 282.189 2.914 30 50 CFEA N#C[C@H]1CCCN(C(=O)CCc2cccc(F)c2)C1 222913381 HWGPBEQLDAATTP-CYBMUJFWSA-N 260.312 2.520 30 50 CFEA COCC1(CNc2nc(C)c(C)cc2C#N)CCC1 952872555 RALQWRYGOHYJPQ-UHFFFAOYSA-N 259.353 2.799 30 50 CFEA CC(C)(C)c1nc(C(=O)N2CC(F)(F)C[C@H]2C#N)cs1 1775998981 NIKWDUGPOFOPFC-QMMMGPOBSA-N 299.346 2.814 30 50 CFEA C=C(C)C[C@@H](C)C(=O)Nc1ccccc1CC(=O)OC 185758791 QCUCVGNBYIGTAT-GFCCVEGCSA-N 275.348 2.943 30 50 CFEA C[C@@H](NCc1cnc(Cl)c(C#N)c1)[C@H]1CCCOC1 408523965 OYTIEWMPGOJMHT-PWSUYJOCSA-N 279.771 2.511 30 50 CFEA C[C@@]1(c2ccccc2)CN(C(=O)[C@H](C#N)CC2CC2)CCO1 585079540 LLYLXGXYIAYFPP-YJBOKZPZSA-N 298.386 2.700 30 50 CFEA C[C@@H](CC#N)NCc1cccc(OC(F)(F)F)c1 612584508 MXNXIUTZGUIDNK-VIFPVBQESA-N 258.243 2.977 30 50 CFEA CC(C)(C)OC(=O)N1CC(=CB2OC(C)(C)C(C)(C)O2)C1 306962926 GWNZSYWYUFJXLE-UHFFFAOYSA-N 295.188 2.795 30 50 CFEA C=C(C)CN(CC)CCC(=O)Nc1ccc(OC)cc1 5591651 VWOJKWXFLOVAFR-UHFFFAOYSA-N 276.380 2.922 30 50 CFEA COC(=O)c1c(NC(=O)CC#N)sc2c1CC[C@@H](C)C2 6468295 JECSICNSBPKIRB-MRVPVSSYSA-N 292.360 2.512 30 50 CFEA Cc1ccc(C(=O)/C=C2/Nc3ccccc3OC2=O)o1 100142960 ISVNGDBGLJJQOJ-DHZHZOJOSA-N 269.256 2.686 30 50 CFEA C=CCOc1ccc([C@@H]2CC(=O)Nc3[nH]nc(C)c32)cc1 35171244 XJPHOZUEMJPJLK-ZDUSSCGKSA-N 283.331 2.757 30 50 CFEA C=CCn1cc(-c2nc(CC)nn2-c2cccc(C)c2)nn1 1875340547 HLEIXPKSGJVWAG-UHFFFAOYSA-N 294.362 2.583 30 50 CFEA CC1(C)OB(c2cc(F)c(Cl)c(F)c2)OC1(C)C 169747300 RUNPBSMMMMRKNP-UHFFFAOYSA-N 274.503 2.917 30 50 CFEA in-vitro C[C@H](CN(C)Cc1ccc(C#N)cc1)CN1CCCC1 1529187541 UXIYLALHUSJFRH-OAHLLOKOSA-N 271.408 2.722 30 50 CFEA Oc1ccccc1/C=N\Nc1nc2ccccc2[nH]1 16667392 TWQGQBOSKSVEIB-DHDCSXOGSA-N 252.277 2.715 30 50 CFEA C=C(C)C[C@H](C)C(=O)NCc1nnc2c(Cl)cccn12 585128087 RMEGLURMKKANGV-JTQLQIEISA-N 292.770 2.601 30 50 CFEA CO[C@@H]1CCCN(c2nc(C)cc(C)c2C#N)CC1 363677576 YSGZWSHXLRAEBD-CYBMUJFWSA-N 259.353 2.575 30 50 CFEA COc1cccc(C#C[C@]2(O)CCC[C@H]3C(=O)CCC[C@H]32)c1 1319084 ZENPXSROBMXPQX-ZHALLVOQSA-N 298.382 2.947 30 50 CFEA CCCCCC/C=C/[N+]([O-])=N[C@@H](COC)[C@H](C)O 100307381 BCPWSYQGYBTINM-MHVRFBIVSA-N 258.362 2.829 30 50 CFEA in-vitro O=[S@](O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 114913677 TWIYDBQRYCWOAU-UHFFFAOYSA-N 284.099 2.634 30 50 CFEA CC(C)Oc1cccc(C(=O)N(C2CC2)C2(C#N)CCC2)n1 328881324 MFYBXYHNQBEXTD-UHFFFAOYSA-N 299.374 2.920 30 50 CFEA Oc1ccc(/C=N/C[C@@H]2COc3ccccc3O2)cc1 96189788 NEHSUEIZIBYGAB-IREQLNLFSA-N 269.300 2.651 30 50 CFEA CC(=O)c1ccc(S(=O)(=O)CCC(C)(C)C#N)cc1 585136932 ZCRGAYNOLYLEMI-UHFFFAOYSA-N 279.361 2.603 30 50 CFEA CCC1(CNC(=O)c2ccc(C#CC(C)(C)O)cc2)CC1 952965213 QUAGOQZPNDKBFT-UHFFFAOYSA-N 285.387 2.729 30 50 CFEA C/N=C(/NC[C@@H](C)c1nc(C)cs1)N1CCCCC1 1615831944 YMEAGFGMJALAFE-LLVKDONJSA-N 280.441 2.616 30 50 CFEA C=C(C)[C@@H]1CC=C(CN2C[C@@H]3CCCN3C(=O)[C@H]2C)CC1 1772808708 YZFOLDPQURKJSL-OIISXLGYSA-N 288.435 2.984 30 50 CFEA Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)c(Cl)c1 18173056 BVJVZKQFDVHEOM-UHFFFAOYSA-N 289.722 2.521 30 50 CFEA CC(C)c1nc(N2CCOCC2)c(C#N)c2c1CCCC2 19940159 UVXVHAONKZMETH-UHFFFAOYSA-N 285.391 2.792 30 50 CFEA C=CCOc1cc(OC)ccc1C(=O)N1C[C@H]2CC[C@H]1C2 129391997 RQRCDXADEMSMDR-STQMWFEESA-N 287.359 2.885 30 50 CFEA COc1ccc(CC(=O)Nc2cccc(C#N)c2)cc1 142504 CMQRPIMLXZWAOB-UHFFFAOYSA-N 266.300 2.748 30 50 CFEA C=CCOc1ccc(CNCc2cccnc2)cc1 2533893 IFPAHRPEBBRZME-UHFFFAOYSA-N 254.333 2.936 30 50 CFEA CCCC(=O)C1=C(Cl)CC(C)(C)[C@@H](C(=O)OC)C1=O 3071553 WXNYPRWIVGVGPR-LLVKDONJSA-N 286.755 2.637 30 50 CFEA Cc1cc(C(=O)CSc2ncccc2C#N)c(C)n1C 9378795 ODMTUBUYSFZKOM-UHFFFAOYSA-N 285.372 2.884 30 50 CFEA Cc1cccc(C/N=C(/O)Cn2cnc(C3CC3)n2)c1 328593602 NMUCQNLXZMDHKA-UHFFFAOYSA-N 270.336 2.621 30 50 CFEA Cc1cc(C#N)nc(N2Cc3ccccc3N(C)C[C@H]2C)n1 242389456 ZXIHWTFXWJXLOR-CYBMUJFWSA-N 293.374 2.502 30 50 CFEA C[C@@H](C#N)Sc1ccc(S(=O)(=O)C(F)(F)F)cc1 177405841 UGKSAJGFCRHNPV-ZETCQYMHSA-N 295.307 2.984 30 50 CFEA CC1(C)N(O)C2=C(C(=NO)c3ccccc32)[N+](=O)C1(C)C 334159200 GWCGJNDPOSWHNG-UHFFFAOYSA-O 288.327 2.588 30 50 CFEA Cc1ccc([C@@H](C)CCN2CCn3nc(C#N)cc3C2)o1 670453152 LGKLJBFDAADXGL-LBPRGKRZSA-N 284.363 2.666 30 50 CFEA CC1(C)C/C(=N\O)[C@H]([C@H](O)c2ccccc2)C(C)(C)N1 4525461 VGFIOZVWVYMGPY-CNIAIOPBSA-N 276.380 2.717 30 50 CFEA C=CC[C@H](CC)NC(=O)N[C@@H](CC)[C@H]1CCCO1 252493666 NFDSRKQNNOMNCO-RWMBFGLXSA-N 254.374 2.598 30 50 CFEA CC1(C)CC(=O)C2=C(C1)NC(=O)N[C@@H]2c1ccccc1 390465 LYALCTIYMWWLGG-CQSZACIVSA-N 270.332 2.684 30 50 CFEA C=CCN1C(=O)/C(=C\c2cccc(C)n2)SC1=S 8660821 NNOCLMDRBFYOEQ-DHZHZOJOSA-N 276.386 2.777 30 50 CFEA C=CCn1cc(CN(C)[C@@H](C)c2ccon2)c(C)n1 55370174 KGLRTQUCGQOHOM-LBPRGKRZSA-N 260.341 2.559 30 50 CFEA CC1(C)OB(Cc2ccccc2[N+](=O)[O-])OC1(C)C 170005850 RAKZJGDBWIYMID-UHFFFAOYSA-N 263.102 2.769 30 50 CFEA Cc1cccnc1[C@@H](C)NC(=O)c1cccc(C#N)c1 67688366 ZYEWRCGUNWEQAQ-GFCCVEGCSA-N 265.316 2.753 30 50 CFEA Cc1nsc(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1C#N 286660073 YGLSOUNNWFOGNC-NEPJUHHUSA-N 279.409 2.557 30 50 CFEA N#CC[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 952883796 XLATZQYQIALLCE-NSHDSACASA-N 282.303 2.883 30 50 CFEA CC(C)(C)OC(=O)CCB1OC(C)(C)C(C)(C)O1 169747497 DAPLUUBGLVENFC-UHFFFAOYSA-N 256.151 2.810 30 50 CFEA in-vitro Cc1cc(CO)oc1C(=O)NC(C)(C)c1cccc(C#N)c1 597956682 UGEIMVVQQQOFFN-UHFFFAOYSA-N 298.342 2.617 30 50 CFEA C[C@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@H]1O 253370419 QSKDHPXBVLDEGU-TVQRCGJNSA-N 284.281 2.784 30 50 CFEA COC(=O)[C@]1(F)CC=C(B2OC(C)(C)C(C)(C)O2)CC1 218376915 MLQPANZPCLFLHR-AWEZNQCLSA-N 284.136 2.609 30 50 CFEA N#Cc1sc2nc(-c3ccncc3)ccc2c1N 61386 RYLIQFVAHIFTAV-UHFFFAOYSA-N 252.302 2.812 30 50 CFEA CCOc1ccc(C2=CC(=O)[C@@H](CC(=O)O)CC2)cc1 238651 HCEVAZPOBPZMDS-CYBMUJFWSA-N 274.316 2.923 30 50 CFEA Cc1nc(C(C)C)oc1/C(O)=N/[C@@H]1CCO[C@H]1C1CC1 328960801 QMQAXJRSUOTVOP-YPMHNXCESA-N 278.352 2.979 30 50 CFEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(O)ccc1Cl 290929300 RSDLBPKWJZXIFA-QMTHXVAHSA-N 295.766 2.757 30 50 CFEA Cn1cc(B2OC(C)(C)C(C)(C)O2)c2cc(F)ccc21 203603846 LFJVNUOFKWTQCW-UHFFFAOYSA-N 275.132 2.617 30 50 CFEA CC(=O)c1ccc(C(=O)O[C@H]2CCC[C@H]2C#N)cc1 408518797 BDYURISGVXGKLL-KBPBESRZSA-N 257.289 2.738 30 50 CFEA CC#CC(=O)N(C)[C@@H]1CCCc2nc(CC)sc21 278025880 FSAQHSFMCAOVQZ-LLVKDONJSA-N 262.378 2.565 30 50 CFEA CN(C)Cc1cc(N=C(O)c2ccnn2C)ccc1Cl 330033325 ZDFGZLAZBIJHGK-UHFFFAOYSA-N 292.770 2.771 30 50 CFEA CCC[C@@H]1O[C@@]23CCCC[C@H]2[C@@](C#N)(C(=N)O3)C1(C#N)C#N 205950043 QSYAOBUMIKSMLP-GVAFMPQTSA-N 298.346 2.623 30 50 CFEA N#Cc1nc(-c2ccccc2Cl)oc1N1CCOCC1 467981 JZDOKYXDZWHOMI-UHFFFAOYSA-N 289.722 2.703 30 50 CFEA C=C(C)COc1cccc(C(=O)NCC2(CO)CCC2)c1 55306980 ULMCCQGOMNRDSO-UHFFFAOYSA-N 289.375 2.534 30 50 CFEA COc1ccnc(O)c1C(O)=Nc1cnc2c(c1)CCCC2 329107697 PGOXJMXHDCRECI-UHFFFAOYSA-N 299.330 2.706 30 50 CFEA O=C(O)c1ccc(N/N=C2/COc3cc(F)ccc32)cc1 1875252755 DQBCKCNYULGEMJ-AQTBWJFISA-N 286.262 2.733 30 50 CFEA CC(C)C[N@@]1C[C@@H]1COc1ccc(C#N)c(Cl)c1 1875378537 FVKUSACITLSUER-PXAZEXFGSA-N 264.756 2.931 30 50 CFEA CC#CC(=O)N[C@@H](C)c1cn(C)c2ccc(C)cc12 1875377310 XIKMYTHSFMRRIU-LBPRGKRZSA-N 254.333 2.687 30 50 CFEA N#Cc1cc(C(=O)N2Cc3ccccc3C2)ccc1F 170617683 FDGDXCJPFRWOCT-UHFFFAOYSA-N 266.275 2.853 30 50 CFEA C=C(C)C[C@@H](C)C(=O)NCC(OC)(OC)c1ccccc1 585129062 WZFMJUKFLUYFST-CQSZACIVSA-N 291.391 2.851 30 50 CFEA O=[N+]([O-])c1ccc(N/N=C/c2ccccc2)c([N+](=O)[O-])c1 4336509 DZPRPFUXOZTWAJ-NTEUORMPSA-N 286.247 2.949 30 50 CFEA CC1(C)OB(c2cc(F)ccc2OC(F)F)OC1(C)C 205355591 YKETZMMATXPWIM-UHFFFAOYSA-N 288.074 2.726 30 50 CFEA CC[C@H](NC(=O)CC#N)c1ccc2c(c1)CC(C)(C)O2 225398356 RBTNCLBSIRTMMC-ZDUSSCGKSA-N 272.348 2.881 30 50 CFEA C=C(C)CN(CC)C(=O)CC[C@@H]1CCCN(C)C1 65423446 PCHTTWDKRRYQIZ-AWEZNQCLSA-N 252.402 2.533 30 50 CFEA C=CCNC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 193329516 GNRGSHHPSHTUCV-ALOPSCKCSA-N 256.393 2.958 30 50 CFEA CC(C)(C)OC(=O)N1CCC[C@@]1(C#N)C(F)(F)F 616582088 AUFPHIFJLZFZIZ-SNVBAGLBSA-N 264.247 2.842 30 50 CFEA CC[C@@]1(CO)CCCN(c2ccc(F)cc2C#N)C1 274975881 AQKHPSASWSOZCJ-OAHLLOKOSA-N 262.328 2.686 30 50 CFEA N#Cc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 491532 FEECPKRZFPEEEU-UHFFFAOYSA-N 281.340 2.685 30 50 CFEA in-vitro C=CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1C 2752296 WIZKJHQUODJRTA-JTQLQIEISA-N 253.729 2.718 30 50 CFEA C=CCN1C(=O)C2(OCCO2)c2cc(CCCC)ccc21 8047323 VRQQJIXQSFHGTH-UHFFFAOYSA-N 287.359 2.761 30 50 CFEA Cc1cc(C)nc(/N=C(/N)Nc2ccc3ncccc3c2)n1 22079129 JFBGPAORMHCBIC-UHFFFAOYSA-N 292.346 2.700 30 50 CFEA CC[C@@]1(c2ccc(Br)cc2)O[C@H]1C#N 306733690 UBMHTQPCFGWJMU-QWRGUYRKSA-N 252.111 2.977 30 50 CFEA O=C(/C=C/c1cn(C2CCC2)nn1)c1cccc2c1OCO2 585135883 HIEUPUHNTPXGCS-BQYQJAHWSA-N 297.314 2.628 30 50 CFEA COc1ccc2c(c1)CCN(Cc1cc(C#N)n(C)c1C)C2 670451537 CLEZEPZUYSPMRI-UHFFFAOYSA-N 295.386 2.772 30 50 CFEA CCOCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 169985718 XUXUMFJGQLOECD-UHFFFAOYSA-N 280.148 2.661 30 50 CFEA CCSc1cccnc1C(=O)N[C@@H](C#N)C(C)(C)C 410876788 MWGDFGAMFQUFFP-NSHDSACASA-N 277.393 2.862 30 50 CFEA O=C(O[N@]1CC1(C(F)(F)F)C(F)(F)F)c1ccccc1 1857666658 HZMQLAVMNLYWNJ-GOSISDBHSA-N 299.170 2.937 30 50 CFEA CC(C)(C)c1cccc(B2OC(C)(C)C(C)(C)O2)n1 169968756 FHHFJOJIXSGQEU-UHFFFAOYSA-N 261.174 2.678 30 50 CFEA CC(=O)Nc1ccc(/C=C\C(=O)c2ccccn2)cc1 4566937 NMHVHNWWNOROER-YFHOEESVSA-N 266.300 2.936 30 50 CFEA C=CCn1c2ccccc2n2c(C(C)=O)c(C)nc12 255131 XEYONTSBTQUVSH-UHFFFAOYSA-N 253.305 2.986 30 50 CFEA N#Cc1cccc(NC(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1 246663607 QATPIIDOUNOPFC-XSXPHNMFSA-N 252.317 2.789 30 50 CFEA Cc1ccc(S(=O)(=O)Cc2ccc(C#N)cc2)cc1 8730531 POWSRQJDCDYGKM-UHFFFAOYSA-N 271.341 2.841 30 50 CFEA CC[C@@H](/N=C(/O)c1cc(C)nc(O)c1)C1CCOCC1 330698894 FITCGPOTYORDIU-CYBMUJFWSA-N 278.352 2.605 30 50 CFEA COc1cccc(OC2CN(Cc3ccc(C#N)cc3)C2)c1 215868083 RPLKBIFUUDYZRU-UHFFFAOYSA-N 294.354 2.830 30 50 CFEA C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2[C@H]1O 95100127 QKJPFZYODFIADE-KNCOVGOOSA-N 264.365 2.849 30 50 CFEA C[C@]1(C#N)CCCN(Cc2noc(-c3ccccc3)n2)C1 612165287 LMTUYOOMNHCKBF-MRXNPFEDSA-N 282.347 2.862 30 50 CFEA CCOc1ccc(C#N)cc1N[C@H]1CCO[C@H](C)C1 272665634 PLLWJFLIPMDKEM-YPMHNXCESA-N 260.337 2.936 30 50 CFEA CCOC(=O)C1=C(C)N/C(=C/c2cccc(Cl)c2)C1=O 2307157 BVFXZPCXWNKGFN-XYOKQWHBSA-N 291.734 2.690 30 50 CFEA CCOC(=O)c1c(NC(=O)CC#N)sc(C)c1CC 5477183 WRVPWOZGVSJQSW-UHFFFAOYSA-N 280.349 2.648 30 50 CFEA Cc1cc(C#N)cc(N(C)[C@H]2CCO[C@@H]2c2cccnc2)n1 591824955 DLWJCVZQSFKHRF-DOTOQJQBSA-N 294.358 2.623 30 50 CFEA C=CCNCCOc1cccc(Br)c1 3003433 XJPCLZUKOPQZDV-UHFFFAOYSA-N 256.143 2.604 30 50 CFEA Cc1nc(C#N)c(N)nc1NCc1cccc(Cl)c1 225649780 KDGOIVZAPOLFNS-UHFFFAOYSA-N 273.727 2.504 30 50 CFEA O=C1CNC(=O)/C1=C\Nc1ccc(C2CCCCC2)cc1 100288924 JWLLPYVEFCZKIY-GDNBJRDFSA-N 284.359 2.729 30 50 CFEA COc1ccc(B2O[C@H]3C[C@H]4C[C@H](C4(C)C)[C@@]3(C)O2)cc1 170018691 CJEDQOKLVJUDJG-FIUQPQMISA-N 286.180 2.631 30 50 CFEA C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CCCCO1 151615283 XYVZQYQJFYEEAU-RDJZCZTQSA-N 286.375 2.587 30 50 CFEA CO/N=C1\C[C@@H]2[C@@H]3C/C(=N\OC)[C@@H]4[C@@H]5C=C[C@@H]6[C@@H]1[C@@H]2[C@H]([C@@H]34)[C@H]65 257346503 NEQASLFCPZMGNJ-QSFKBAAUSA-N 298.386 2.571 30 50 CFEA CN(C)/C=C/C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2155440 KZAZUUZVINFQBQ-AATRIKPKSA-N 254.673 2.506 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)N[C@@H](C)c1ccco1 328616593 BUYWJVHWEAPDNS-OUCADQQQSA-N 280.368 2.905 30 50 CFEA Cc1cccc(NC(=O)Nc2ccc(C#N)cc2)n1 4792052 SKODVSVEXUYNGG-UHFFFAOYSA-N 252.277 2.906 30 50 CFEA aggregator COc1cc2c(cc1-c1nc(C)cc(C)c1C#N)OCO2 2100544920 BDFIRHQMDMIEAF-UHFFFAOYSA-N 282.299 2.974 30 50 CFEA CCN(Cc1nc(C#N)cs1)c1ccc(O)cc1 2325854099 OBJZGLYEUPBJNB-UHFFFAOYSA-N 259.334 2.747 30 50 CFEA COc1ccc(C(=O)/C=C/Nc2cc(C)on2)cc1 6553080 OIDXGHXOFURKRF-BQYQJAHWSA-N 258.277 2.800 30 50 CFEA CCc1occc1C(=O)Nc1nn(C(C)(C)C)cc1C#N 281381552 GQCJWEYFGCACFH-UHFFFAOYSA-N 286.335 2.917 30 50 CFEA CC1(C)OB(CC(=O)c2cccc([N+](=O)[O-])c2)OC1(C)C 170005822 JYYHPKTYCJXQCF-UHFFFAOYSA-N 291.112 2.870 30 50 CFEA O=C(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F 100034151 ABQIAHFCJGVSDJ-UHFFFAOYSA-N 266.034 2.951 30 50 CFEA CC(=O)N1/C(=C/NCc2ccccc2)C(=O)c2ccccc21 100439816 MNKXWNVLUQYZQL-SFQUDFHCSA-N 292.338 2.867 30 50 CFEA C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CCCCO1 151615406 XYVZQYQJFYEEAU-WBVHZDCISA-N 286.375 2.587 30 50 CFEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C(C)C)cn1 291134495 VUXITUNHZWKYJT-GDBMZVCRSA-N 288.391 2.916 30 50 CFEA C[C@@H](c1cccc(C#N)c1)N1CCC(Cn2cncn2)CC1 190039292 BKIGXEYHEWVRML-AWEZNQCLSA-N 295.390 2.623 30 50 CFEA O/N=C/c1cc(Br)cc(Cl)c1O 253560915 BKURFPBLGDWAMT-XCVCLJGOSA-N 250.479 2.616 30 50 CFEA C#CC1(OC[C@@H](O)CN2CCCCCC2)CCCCC1 12342637 ZHZKSQGMGXSSMR-INIZCTEOSA-N 279.424 2.576 30 50 CFEA CO[C@@]1(C)C[C@@H](N(C)c2cccc(C#N)n2)C1(C)C 270031919 HDQCBXFZVQBJLB-DOMZBBRYSA-N 259.353 2.593 30 50 CFEA N#Cc1cc(Cl)ccc1-n1cc(-c2cccc(F)n2)nn1 2325818273 DQJONMVVGWRPLS-UHFFFAOYSA-N 299.696 2.993 30 50 CFEA N#Cc1c(NC(=O)CCCC(=O)O)sc2c1CCCC2 314002 DNSUIRTWONTYEZ-UHFFFAOYSA-N 292.360 2.692 30 50 CFEA C=CCNCCCOc1cccc(Br)c1 3003406 PECDAEUUVJNYQB-UHFFFAOYSA-N 270.170 2.994 30 50 CFEA C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(C)=O 4513067 XAQPLTSKZPXDKK-UHFFFAOYSA-N 271.320 2.580 30 50 CFEA C[C@@H](NC(=O)c1cc(C#N)cn1C)C1=CCCCC1 670444901 ZBSWAHYEDZTQJZ-LLVKDONJSA-N 257.337 2.515 30 50 CFEA CC(C)c1ccc(CN=C2NCC(C)(C)N2C)cc1 1875355623 BIFBDFOCWSZANB-UHFFFAOYSA-N 259.397 2.980 30 50 CFEA CC(C)C[N@@]1C[C@@H]1COc1cccc(Cl)c1C#N 1875379670 TYLCALGGOJLIHQ-DIFFPNOSSA-N 264.756 2.931 30 50 CFEA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1704337423 XIBVTYFTHTUBAU-SOLBZPMBSA-N 298.386 2.571 30 50 CFEA Oc1ccccc1/C=N/CC/N=C/c1ccccc1O 12358641 VEUMANXWQDHAJV-JYFOCSDGSA-N 268.316 2.636 30 50 CFEA in-vitro Cc1nc(Cl)cc(N/N=C/c2ccc(O)cc2)n1 4947056 UAZSEFBSZCQEGM-VGOFMYFVSA-N 262.700 2.590 30 50 CFEA N#Cc1cc(Nc2ccccc2N)c([N+](=O)[O-])cc1C#N 4048208 DHZGALQFXLXNDQ-UHFFFAOYSA-N 279.259 2.664 30 50 CFEA Cc1cc(C)c([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 170008007 OEUCZMLHPXEZSU-UHFFFAOYSA-N 277.129 2.511 30 50 CFEA CC#CC(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C 283332366 WPFFPOGBKPJQHU-BXUZGUMPSA-N 277.751 2.652 30 50 CFEA C=C(C)CNC(=O)Nc1ccc(C(=O)NCCC)cc1 156679646 CEANZNBCIFKFSY-UHFFFAOYSA-N 275.352 2.524 30 50 CFEA Cn1ccnc1[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 82087033 QALRMIVEXVWODG-MRXNPFEDSA-N 280.375 2.671 30 50 CFEA CN1CCC([C@@H]2CCN(c3ccc(C#N)cc3)C2)CC1 270144120 GPWRPMHROFLAPJ-MRXNPFEDSA-N 269.392 2.726 30 50 CFEA CCN(CC)c1ccc([C@@H](C#N)N2CCO[C@@H](C)C2)cc1 170594295 OQAJKFSCQPYXLU-WMLDXEAASA-N 287.407 2.818 30 50 CFEA N#CC1(C(=O)N2CCC=C(c3ccncc3)C2)CC2(CC2)C1 601580685 IGLYUIUBFLTTGL-UHFFFAOYSA-N 293.370 2.781 30 50 CFEA Cc1ccc(CNC(=O)CC#N)c(OCC(C)C)c1 195567537 PAWRJJYCXNCUIA-UHFFFAOYSA-N 260.337 2.560 30 50 CFEA C=C(C)C[C@H](C)C(=O)NCCC#C[Si](C)(C)C 585127197 SLPBWABEQFEUQJ-ZDUSSCGKSA-N 251.446 2.976 30 50 CFEA C=C(C)C[C@H](C)C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F 585113575 AOLHAYIDLBLYHP-UWVGGRQHSA-N 295.301 2.589 30 50 CFEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 203850032 NFVNNZSSZYGQKF-UHFFFAOYSA-N 254.085 2.572 30 50 CFEA in-vitro C=C(Cl)CN(CCC#N)S(=O)(=O)c1ccc(C)cc1 3053529 RKGUXQYDUDBFDR-UHFFFAOYSA-N 298.795 2.652 30 50 CFEA C[C@H](NC[C@@H](O)Cc1ccccc1)c1ccc(C#N)cc1 242191407 XFHURGURVKPPGL-KSSFIOAISA-N 280.371 2.812 30 50 CFEA Cc1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1 12366690 MTDSWPREMZZADO-UHFFFAOYSA-N 264.284 2.625 30 50 CFEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1cc(C)nc(C)n1 209995732 NMTUABJXWRLOFK-JSGCOSHPSA-N 271.364 2.829 30 50 CFEA Cc1ccc(C#N)c(N2Cc3cnc(C(C)(C)C)nc3C2)n1 67725288 FNIZHAXIFOORSZ-UHFFFAOYSA-N 293.374 2.869 30 50 CFEA N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1 3778874 HPJKCIUCZWXJDR-UHFFFAOYSA-N 285.310 2.659 30 50 CFEA biogenic,fda CC1(C#N)CCN(C[C@]2(c3ccccc3)CCOC2)CC1 215259336 CTIZZYBIFJTJQF-GOSISDBHSA-N 284.403 2.970 30 50 CFEA N#Cc1cccc(N2CCC(N3CCCCCC3)CC2)n1 670451115 ZDTDKFXBRUYBNA-UHFFFAOYSA-N 284.407 2.798 30 50 CFEA O=[N+]([O-])c1cccc(/C(=N/O)Nc2ccccc2)c1 17951748 SYFGRNYJBOXRJN-UHFFFAOYSA-N 257.249 2.843 30 50 CFEA N#Cc1cc(Br)c(N)cc1C(F)(F)F 36533227 VDQSOTIHVAEDDZ-UHFFFAOYSA-N 265.032 2.922 30 50 CFEA in-vitro O=[N+]([O-])c1ccc([C@H](O)C/N=C/c2ccccc2)cc1 3122176 NLDGGWWLCBWADD-VGVSSDJJSA-N 270.288 2.747 30 50 CFEA Clc1cccc(CO/N=C2\CCCc3nonc32)c1 93793 SSFXWOJKIIQIOF-RVDMUPIBSA-N 277.711 2.980 30 50 CFEA C=CCN1C[C@H](c2nc3ccccc3n2CCC)CC1=O 4385970 MFUMQXOVMUIAOT-CYBMUJFWSA-N 283.375 2.948 30 50 CFEA O=C1C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1 83960 UYKCAQGCJCECGZ-KRWDZBQOSA-N 250.297 2.931 30 50 CFEA C=C(C)COc1ccccc1NC(=O)NC[C@H]1CCOC1 299788202 XSBASTJKAFFUQX-CYBMUJFWSA-N 290.363 2.800 30 50 CFEA CN1CC[C@@H](CNCc2cc(C#N)n(C)c2)c2ccccc21 190844044 CBTSFEGOUQEGEF-HNNXBMFYSA-N 294.402 2.610 30 50 CFEA C=CCN(Cc1ccsc1)C(=O)Cc1ccccn1 1506427706 ZDSQCWYFBWHICV-UHFFFAOYSA-N 272.373 2.900 30 50 CFEA CCc1ccc(NC(=O)C[n+]2cc3ccccc3cn2)cc1 2532620 RPLVBBNIUKFNKL-UHFFFAOYSA-O 292.362 2.723 30 50 CFEA Cc1ccoc1/C(O)=N/[C@H](CC(=N)O)C1CCOCC1 331036894 NVIJEWPZIVZXNA-LLVKDONJSA-N 280.324 2.613 30 50 CFEA CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc(C#N)cc1 71280120 OASWUCMKJJPJOH-GFCCVEGCSA-N 296.330 2.753 30 50 CFEA C=CCN(Cc1ccsc1)C(=O)c1cc(OC)ccn1 952961105 LEABTVUWPMWADA-UHFFFAOYSA-N 288.372 2.980 30 50 CFEA COc1cc(N2CCS[C@H](C(C)C)C2)c(C#N)cn1 170613117 SVNRWPUBUYANNF-ZDUSSCGKSA-N 277.393 2.540 30 50 CFEA N#Cc1cc(Br)cc(Br)c1N 165497 WLZCMGXAEXFAQA-UHFFFAOYSA-N 275.931 2.665 30 50 CFEA in-vitro CCOC(=O)c1ccc(-c2ccc(/C=N/O)o2)cc1 435681 ABXPDECJYHIEAX-OQLLNIDSSA-N 259.261 2.931 30 50 CFEA O=C(O)c1ccc(/N=C/c2ccccc2O)cc1O 2143663 WJMGDWNRDNTWPN-OVCLIPMQSA-N 257.245 2.547 30 50 CFEA C[C@@H]1CC[C@H](CO)CN1c1nc(C(F)(F)F)ccc1C#N 119384291 REQUVGZXRVWRRS-ZJUUUORDSA-N 299.296 2.569 30 50 CFEA C=C1c2ccccc2C(=O)[C@@]23O[C@]12[C@H]1C=C[C@H]3CC1 101047565 LVWQIFOIVONKDF-MWDDYTRKSA-N 250.297 3.000 30 50 CFEA CCCC[C@@H](CCC)/N=C(/O)N1CCCOCC1 328588714 NBMSCYAIECOFMN-CYBMUJFWSA-N 256.390 2.982 30 50 CFEA CC(C)=C[C@@H]1[C@@H](C(=O)[C@H](C#N)C(=O)N2CCCC2)C1(C)C 252512201 OABPECDHZCEOCK-MJBXVCDLSA-N 288.391 2.556 30 50 CFEA Cc1cnc(/C(O)=N/C[C@H]2CCO[C@@H]2c2ccccc2)cn1 328613854 ULKQIJMLGBGRSU-GDBMZVCRSA-N 297.358 2.867 30 50 CFEA CCCCCCCCCCCC(=O)N(CCO)CCO 38139837 AOMUHOFOVNGZAN-UHFFFAOYSA-N 287.444 2.721 30 50 CFEA endogenous,in-man C[C@@H](Nc1ncc2c(n1)CCOC2)c1ccc(C#N)cc1 1875286235 LTSPBVBABOYWQK-LLVKDONJSA-N 280.331 2.594 30 50 CFEA N#CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 72194112 ACAWKDAFHOUZKV-UHFFFAOYSA-N 278.355 2.981 30 50 CFEA in-vitro N#Cc1cncc(N[C@@H]2CCC[C@@H]2Cc2ccccn2)n1 585098965 WUCZNOLEAIXSNM-IUODEOHRSA-N 279.347 2.567 30 50 CFEA COc1ccc(C(=O)/C=C/N2CCCCC2)cc1OC 318663 MIFJWLSGHYEUFT-DHZHZOJOSA-N 275.348 2.886 30 50 CFEA C#CCn1cc(/C=C2\SC(=O)N(C)C2=O)c2ccccc21 1186203 VWQWQHZCGKLYCX-ZROIWOOFSA-N 296.351 2.941 30 50 CFEA O=C1CS/C(=N\N=C\c2cccc(Cl)c2Cl)N1 1212104 DXVFJXBVGNPXTH-YIXHJXPBSA-N 288.159 2.546 30 50 CFEA CC1(C)OB(c2c[nH]c3ncc(Cl)cc23)OC1(C)C 169794269 ZYKSLJNKWGNLIJ-UHFFFAOYSA-N 278.548 2.516 30 50 CFEA Clc1cc2c(cc1/C=N/Nc1ccccn1)OCO2 4982595 PUYBUQYOYMFDOZ-FRKPEAEDSA-N 275.695 2.910 30 50 CFEA C=CCOc1ccccc1CN1CCCC[C@H]1CO 23281681 HNHVFEIIQDBLCW-HNNXBMFYSA-N 261.365 2.598 30 50 CFEA Oc1ccc(/C=N/C[C@H]2COc3ccccc3O2)cc1 96189787 NEHSUEIZIBYGAB-VEJKBTLKSA-N 269.300 2.651 30 50 CFEA COc1cc(C)ccc1OCCN1CCC[C@H](C#N)C1 252483673 FGUCENSHKUOACB-CQSZACIVSA-N 274.364 2.618 30 50 CFEA C=C[C@@](C)(CC)C(=O)N1CCC[C@H](N2CCCC2=O)CC1 412835862 GEVNOCOUMNPJIC-YOEHRIQHSA-N 292.423 2.592 30 50 CFEA C#CCN(C)CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 170611966 KTNVVLVIXVNRNE-OAHLLOKOSA-N 286.419 2.627 30 50 CFEA CN(C)/C=C/C(=O)c1cccc(Br)c1 143063 FBICCVMQKCGCST-VOTSOKGWSA-N 254.127 2.707 30 50 CFEA C=CCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 12343803 WJTDJPUNRQDGQD-UHFFFAOYSA-N 280.176 2.599 30 50 CFEA C=CCNCC[C@@H]1CCC(=O)N1CCCc1ccccc1 14879266 MDTKPVBRNGFPME-KRWDZBQOSA-N 286.419 2.776 30 50 CFEA Cn1cc([C@@H](Nc2ccc(C#N)nc2)C(C)(C)C)cn1 591821678 RWLQJPHRLXDUDR-CQSZACIVSA-N 269.352 2.886 30 50 CFEA COc1cc(CO)ccc1OCc1ccccc1C#N 469965 QWGZGSYSSZEZKL-UHFFFAOYSA-N 269.300 2.638 30 50 CFEA CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H](C(C)(C)C)C1 826672434 NKBLHLBXSHIKSV-GFCCVEGCSA-N 286.441 2.624 30 50 CFEA COc1ccc(OC)c(NC(=O)ON=C(C)C)c1 4583100 PMCNKSUCEIGWLX-UHFFFAOYSA-N 252.270 2.648 30 50 CFEA CC1(C)CCC[C@]1(O)C/N=C(/O)C[C@H]1CCCC(O)=N1 329531620 WOZFHHIIUDDTSX-ABAIWWIYSA-N 282.384 2.783 30 50 CFEA OC(=Nc1cnc2c(c1)CCCC2)[C@H]1C[C@@]12CCOC2 329671902 SHUGASPRPJRMFJ-CZUORRHYSA-N 272.348 2.975 30 50 CFEA Cc1ccc(OC2CN(C(=O)c3ccccc3C#N)C2)cc1 218038244 HHQOYXONZXNWGC-UHFFFAOYSA-N 292.338 2.770 30 50 CFEA CC#CC(=O)N(CCC)Cc1nnc(-c2cccs2)o1 1875363239 LKAHSLXPNSPNHH-UHFFFAOYSA-N 289.360 2.560 30 50 CFEA Cc1cc(C#N)c(O)nc1C(=O)N1CCCCCCCC1 1362853163 PKQSJKDCYMNHGH-UHFFFAOYSA-N 287.363 2.764 30 50 CFEA N#Cc1ccc(N2CCC[C@@H](c3ccncc3)C2)nc1 596254956 UTUYGLKKCLXIPE-OAHLLOKOSA-N 264.332 2.732 30 50 CFEA C#Cc1ccc(C(=O)N2CCC[C@H]2c2ccon2)cc1 1615614207 FFUHNWSVSKCJCD-HNNXBMFYSA-N 266.300 2.633 30 50 CFEA Cc1nc(C)c(C(=O)/C=C2/Nc3ccccc3NC2=O)s1 17885100 JQHSZCXVPWSBSU-KPKJPENVSA-N 299.355 2.891 30 50 CFEA N#Cc1c(N)nc2c(c1-c1cccnc1)CCCCC2 19536257 USWMXSGNHGQXOQ-UHFFFAOYSA-N 264.332 2.866 30 50 CFEA COc1ccc2c(B3OC(C)(C)C(C)(C)O3)ccnc2c1 169969407 WMOLQNJQKPQXEE-UHFFFAOYSA-N 285.152 2.543 30 50 CFEA CC1(C)OB(c2ccc(C#N)c(C3CC3)c2)OC1(C)C 203615167 CPWNVWXLXZFPFE-UHFFFAOYSA-N 269.153 2.735 30 50 CFEA COc1ccc([C@H]2O[C@@]23Cc2ccccc2C3=O)cc1OC 1572014 JCENLDBODYOIBO-QZTJIDSGSA-N 296.322 2.953 30 50 CFEA COc1cc(C#N)ccc1OCC(=O)Nc1cccc(C)c1 3434207 OVLDTOPYSHZVJN-UHFFFAOYSA-N 296.326 2.893 30 50 CFEA C=CCn1nnnc1NCc1cc(Cl)ccc1OCC 7601895 GUDHRVQVLYWZEC-UHFFFAOYSA-N 293.758 2.523 30 50 CFEA C=C(C)CN1CCOC[C@H]1CC(=O)c1cccs1 119624738 IVXSWTZKXWTEJT-GFCCVEGCSA-N 265.378 2.598 30 50 CFEA CC#CC(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 282799842 MSJRZKXUEHTPTN-VIFPVBQESA-N 277.274 2.632 30 50 CFEA C#CCCC1(CCC(=O)Nc2cnn(CC3CC3)c2)N=N1 952881188 FZFMNRQTAZJDDR-UHFFFAOYSA-N 285.351 2.587 30 50 CFEA C#CCCCC(=O)N1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C 408521805 JWMNZWQWLNRHKG-KBPBESRZSA-N 293.407 2.759 30 50 CFEA C=C(CN1CCO[C@H](c2cccc(OC(F)F)c2)C1)OC 170607506 DTVMQZVYCWPWJD-AWEZNQCLSA-N 299.317 2.821 30 50 CFEA Cc1cccc(O)c1C(=O)NCC1(C#N)CCCCC1 600104840 QZRJBQKBYYFTND-UHFFFAOYSA-N 272.348 2.905 30 50 CFEA CC(C)(O)C(F)(F)C(F)(F)C(F)(F)C(F)F 1760806 RTFCOQNRRQBMIT-UHFFFAOYSA-N 260.124 2.928 30 50 CFEA in-vitro Cc1cnc(Nc2sccc2C#N)nc1N(C)C 2100537801 WWKBEIRIQOGBAP-UHFFFAOYSA-N 259.338 2.528 30 50 CFEA CCOC(=O)C1=C(Nc2cccc(Cl)c2)SCC1=O 173143 CQORPYCWAIBZSQ-UHFFFAOYSA-N 297.763 2.843 30 50 CFEA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccc(C#N)c1 249694627 PGTOLCYYJIYNSR-DLBZAZTESA-N 297.402 2.647 30 50 CFEA C[C@H]1CC(=O)C=C(N2CCN(c3ccccc3)CC2)C1 2582109 MWVKMHUWBBXDIL-CQSZACIVSA-N 270.376 2.692 30 50 CFEA CCc1nc(-c2ccc(C(C)(C)C#N)cc2)n(C)n1 426497215 KATZGCCUQHTPOZ-UHFFFAOYSA-N 254.337 2.846 30 50 CFEA O=C1C=CC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@]23C=C[C@@]12CC=CC3 254386584 JXEJUTYOEIZHKE-PWTXATHPSA-N 264.324 2.635 30 50 CFEA C=CCN(Cc1ccccc1C)C(=O)C(C)(C)OC 952869387 RADDJXLDKCWMRY-UHFFFAOYSA-N 261.365 2.935 30 50 CFEA C=CCNc1nnc(S[C@@H]2CCCC[C@H]2O)s1 169924076 HDEDYCYYTSQODJ-RKDXNWHRSA-N 271.411 2.532 30 50 CFEA N#Cc1c(Cl)nsc1NCC1CCOCC1 194990240 WHMCTSCAWVPXNO-UHFFFAOYSA-N 257.746 2.507 30 50 CFEA CC1(C)OB(c2cccc(N3CCCC3)c2)OC1(C)C 169836717 ATWXYVDFJLESJV-UHFFFAOYSA-N 273.185 2.586 30 50 CFEA CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)CC#N)C1 818026171 GMHWEENPRHBWBA-CYBMUJFWSA-N 296.374 2.676 30 50 CFEA C#CCOc1ccc(C(=O)NCCc2ccccc2)cc1 8570432 INVNRFMVGLHEEP-UHFFFAOYSA-N 279.339 2.671 30 50 CFEA Cc1nc(N=C(O)[C@@H]2C[C@]23CCOC3)cc(C2CC2)n1 329634101 WZUTVQLQVLOJOS-NHYWBVRUSA-N 273.336 2.677 30 50 CFEA C=CC(=O)N[C@H](C#N)c1ccc(C(F)(F)F)cc1 1776003551 XAONFAVTGQFDCY-SNVBAGLBSA-N 254.211 2.572 30 50 CFEA FC(F)C(F)(F)C(F)(F)C(F)(F)COC[C@@H]1CO1 2169408 NABHRPSATHTFNS-SCSAIBSYSA-N 288.134 2.573 30 50 CFEA in-vitro C=C(C)Cn1c(S)nnc1-c1cccc([N+](=O)[O-])c1 5685829 CZNDCWPMEWXZST-UHFFFAOYSA-N 276.321 2.718 30 50 CFEA C=CCN(C(=O)CCc1cnn(C)c1)c1ccccc1 128677391 JQRLVAQHAQDPQH-UHFFFAOYSA-N 269.348 2.572 30 50 CFEA C=CC[C@@]1(CO)CCCN(CCOCc2ccccc2)C1 219551720 SPJXWYHKIUOYAH-GOSISDBHSA-N 289.419 2.854 30 50 CFEA C#CC(CC)(CC)NC(=O)Nc1ccc2c(c1)OCO2 6726316 FKLFWZJMUAXZME-UHFFFAOYSA-N 274.320 2.729 30 50 CFEA N#CC1CCN(C(=O)N2CCc3cccc(F)c32)CC1 225525774 LGRKTLRZMKGEQD-UHFFFAOYSA-N 273.311 2.544 30 50 CFEA C[C@H](Nc1cncc(C#N)n1)[C@H]1OCCc2sccc21 420645530 YULZFGCFQNNBFF-LKFCYVNXSA-N 286.360 2.524 30 50 CFEA C=C[C@H](O)C#CC#C[C@H](O)/C=C/CCCCCCC 70454429 QWCNQXNAFCBLLV-NEXKZYMUSA-N 260.377 2.818 30 50 CFEA biogenic,in-vitro C=C1C[C@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 606445512 YECSALQWNOVDJE-NVXWUHKLSA-N 284.403 2.686 30 50 CFEA C=C(C)CNC(=O)NCc1cnc(CC(C)C)s1 156707743 OIUSBRMGSAZPKS-UHFFFAOYSA-N 267.398 2.717 30 50 CFEA Cn1/c(=N/N=C/c2ccncc2)sc2ccccc21 12898333 FJADQPNGDUPCJO-CDEAFOTRSA-N 268.345 2.570 30 50 CFEA COc1ccccc1C/C(N)=N/OC(=O)c1ccc(C)cc1 4977842 RVAAZFYYGIQCHU-UHFFFAOYSA-N 298.342 2.675 30 50 CFEA N#C/C(=N\OCC(=O)Nc1ccccc1)c1ccccc1 4718148 PVNKDFRYJHVPLW-XDJHFCHBSA-N 279.299 2.570 30 50 CFEA COc1ccc(C(=O)Nc2ccccc2C#N)cc1OC 73789 OOYBYKPTJHVBQK-UHFFFAOYSA-N 282.299 2.828 30 50 CFEA biogenic N#Cc1c2n(c3c(-c4ccccc4)ncnc13)CCC2 197460 KJIQKNBQPQRXBT-UHFFFAOYSA-N 260.300 2.916 30 50 CFEA Oc1ccccc1/C=N/Nc1nc2ccccc2o1 3909452 VEWGEYARSOOEBT-OQLLNIDSSA-N 253.261 2.979 30 50 CFEA O=[N+]([O-])c1ccc([C@@H](O)C/N=C\c2ccccc2)cc1 104233466 NLDGGWWLCBWADD-HEUOVEHFSA-N 270.288 2.747 30 50 CFEA COCC1(CNc2ccc(C#N)c(Cl)c2)CCNCC1 261738712 LUHPGBURNJXPHW-UHFFFAOYSA-N 293.798 2.640 30 50 CFEA CC[C@H](CC#N)NC(=O)Nc1cc(-c2nnco2)ccc1C 157427202 WLWHTTCGAUCVLL-GFCCVEGCSA-N 299.334 2.859 30 50 CFEA CC1(C)CCCN(C(=O)COCC2CCCC2)[C@@H]1C#N 456040766 NMOKPTAFHVYIMN-CQSZACIVSA-N 278.396 2.734 30 50 CFEA Cc1ccc(C(=O)CN2C=C/C(=C3/C=CC=[S+]3)N=C2)cc1 328579874 IFPYPKITAGIUSD-BMRADRMJSA-N 295.387 2.702 30 50 CFEA COc1cc(C)c(B2OC(C)(C)C(C)(C)O2)c(C)c1 306154828 BKMBIFRQQAGTPR-UHFFFAOYSA-N 262.158 2.611 30 50 CFEA O=c1[nH]c(N/N=C/[C@@H]2CC=CCC2)nnc1-c1ccccc1 12341103 SZOUZNXURNABKM-PBSOMRJOSA-N 295.346 2.586 30 50 CFEA CC(=O)N(C[C@@H]1CCCN1CCCC(C)(C)C#N)C1CC1 328630947 JYEOKBSBLSYWLD-INIZCTEOSA-N 291.439 2.792 30 50 CFEA N#CCc1cc(Br)cc(F)c1[N+](=O)[O-] 97756621 VLKWBFAPZRQLNG-UHFFFAOYSA-N 259.034 2.562 30 50 CFEA C(=NN1CCN(Cc2ccccc2)CC1)c1ccccc1 238937233 UOBZLUUOGDBSRF-UHFFFAOYSA-N 279.387 2.838 30 50 CFEA O=C(O)c1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1 954190430 PCLXYUVGDHCRSF-UHFFFAOYSA-N 286.243 2.749 30 50 CFEA CC1(C)[C@@H](Nc2cnc(C#N)cn2)[C@@H]1c1ccccc1 599122938 KJNHYWXWXUDIJT-GJZGRUSLSA-N 264.332 2.952 30 50 CFEA N#Cc1ccc(CN2CC[C@@H](c3ccccc3)[C@@H](CO)C2)o1 377699556 LITNSVNBSWCRPW-QAPCUYQASA-N 296.370 2.749 30 50 CFEA C[C@@](O)(C#CCN1CCCCCC1)c1ccccc1 4826239 DUGBBMPNICBQMZ-QGZVFWFLSA-N 257.377 2.774 30 50 CFEA COc1cc(C#N)c(N)cc1OCc1ccccc1 21993713 GAOSRWTZALOJOO-UHFFFAOYSA-N 254.289 2.728 30 50 CFEA C=CCN(Cc1c[nH]cn1)Cc1nc(-c2ccccc2)no1 55370691 OOBJFDNIIRULHC-UHFFFAOYSA-N 295.346 2.648 30 50 CFEA CC1(C)Cc2nc(NCc3cccnc3)c(C#N)cc2CO1 20573668 LXONBIDVCVAGOI-UHFFFAOYSA-N 294.358 2.812 30 50 CFEA CO[C@@H]1CCC[C@@H]1OC(=O)[C@H]1C[C@H]1c1cccc(C#N)c1 241684826 QFLWHBZJZXQNQR-JONQDZQNSA-N 285.343 2.772 30 50 CFEA Cc1ccnc(NC[C@@H](O)CCc2ccccc2)c1C#N 273020536 BWNMTOQGKDVUQV-HNNXBMFYSA-N 281.359 2.667 30 50 CFEA CSCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 169961276 INHVOEQSPJORCU-UHFFFAOYSA-N 264.199 2.849 30 50 CFEA in-vitro Cc1n[nH]cc1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 170604168 ZBABWSVDFRRNHS-UHFFFAOYSA-N 294.274 2.790 30 50 CFEA Fc1ccc(COc2cccc(/C=N/n3cnnc3)c2)cc1 459849 MHSLVDPNCMOMBP-AWQFTUOYSA-N 296.305 2.878 30 50 CFEA O=C(/C=C\c1cccnc1)c1ccc([N+](=O)[O-])cc1 4531799 WLZFHTNWGNZEBU-BAQGIRSFSA-N 254.245 2.886 30 50 CFEA C#CCSc1nc(N)c2c3c(sc2n1)CCCC3 2205111 KLQIJAPHJUTFQF-UHFFFAOYSA-N 275.402 2.878 30 50 CFEA Cc1ccccc1[C@@](C#N)(CCCNCCO)C(C)C 2546362 NQJKFFJFFQCTJS-QGZVFWFLSA-N 274.408 2.775 30 50 CFEA COc1ccccc1NC(=O)O/N=C/c1cccc(C)n1 4793074 XMFGJRXXRLVFCL-MHWRWJLKSA-N 285.303 2.981 30 50 CFEA C=C(C)CN(C)[C@@H](C(=O)O)c1cc(C)ccc1OC 63846835 APOPKHSHZTVSHX-CQSZACIVSA-N 263.337 2.637 30 50 CFEA C=C(C)CN1CCOC[C@@H]1CC(=O)c1cccs1 119624560 IVXSWTZKXWTEJT-LBPRGKRZSA-N 265.378 2.598 30 50 CFEA C=CCC[C@H](/N=C(/O)[C@@H]1CCCCC(O)=N1)C(=O)OCC 328599934 UNGONGPBOLRWIV-RYUDHWBXSA-N 296.367 2.740 30 50 CFEA CC(C)Oc1ccc(Oc2cnc(C#N)cn2)cc1 124951532 BEJAZOYQYBUOII-UHFFFAOYSA-N 255.277 2.928 30 50 CFEA CC(=O)Oc1c(C)c(C)c(OC[C@H]2CO2)c(C)c1C 48564196 CJKLXWZTOVEVHQ-CYBMUJFWSA-N 264.321 2.623 30 50 CFEA C=CC[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 238082642 WMVSUBZDFSSOAU-AWEZNQCLSA-N 255.358 2.572 30 50 CFEA N#Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ncon2)cc1 189592778 NTDYCOBUKYPKJM-CQSZACIVSA-N 296.330 2.699 30 50 CFEA C=C(C)C[C@H](C)C(=O)NCc1c(F)ccc2nc[nH]c12 585128999 UAWJRCBVOICUIF-JTQLQIEISA-N 275.327 2.921 30 50 CFEA C#CCN1C(=O)S/C(=C/c2ccccc2OCC)C1=O 981381 FTMILJYQBIBNCW-JLHYYAGUSA-N 287.340 2.755 30 50 CFEA Cc1c(/N=C/c2ccccn2)c(=O)n(-c2ccccc2)n1C 13114078 QQHGBNVQYJTRJY-XDHOZWIPSA-N 292.342 2.630 30 50 CFEA CC(C)OCC(=O)Nc1cc(C#N)ccc1Br 585124973 BQXITVMILAUIIL-UHFFFAOYSA-N 297.152 2.684 30 50 CFEA C=CCN(CC=C)CCOc1ccc([N+](=O)[O-])c(C)c1 20272270 KIZLAKAXPLCYKL-UHFFFAOYSA-N 276.336 2.956 30 50 CFEA C#CCOc1ccccc1CN(C)Cc1ccncc1 178654937 JWDQIJYJQRVIJG-UHFFFAOYSA-N 266.344 2.726 30 50 CFEA CCOc1ncccc1-c1c(C#N)c(C)n(C)c1C 426484411 GXVBFEWEIAGQAZ-UHFFFAOYSA-N 255.321 2.974 30 50 CFEA COc1ccc(C(F)F)cc1B1OC(C)(C)C(C)(C)O1 1875389793 HMMNUEZUOWJJFV-UHFFFAOYSA-N 284.111 2.932 30 50 CFEA C#CCN(C)C/C=C/C(=O)N1CCC[C@@H]1c1cccs1 1875387516 LPERWOWKWPBZAO-VZUFXWRPSA-N 288.416 2.533 30 50 CFEA N#C[C@@H]1CCC[C@H](Nc2cnn(Cc3ccccn3)c2)C1 193110542 BHRRIPVPTMZONU-KGLIPLIRSA-N 281.363 2.821 30 50 CFEA COc1ccccc1/C=N/NC(=S)NC1CCCCC1 3250361 ZTAGXDNQSXNKLY-LFIBNONCSA-N 291.420 2.826 30 50 CFEA CCCCCCNC(=S)N(CCC#N)CCC#N 5418084 MMJSFGUIOQZNSL-UHFFFAOYSA-N 266.414 2.571 30 50 CFEA C[C@H]1CN(C)[C@@H](C)C/C1=N\Oc1ccccc1[N+](=O)[O-] 13556418 UQBBTDSGUQJIBT-QPYWVZODSA-N 277.324 2.690 30 50 CFEA C[C@H]1CC[C@H](NC(=O)c2c[nH]nc2-c2cccc(C#N)c2)C1 2325797376 LJMKDRDYWIJUEN-FZMZJTMJSA-N 294.358 2.867 30 50 CFEA COc1ccc(-c2nc(C#N)c(NC[C@H]3CCCO3)o2)cc1 468441 SFMINTICPCWQBX-CYBMUJFWSA-N 299.330 2.813 30 50 CFEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1cccc(O)c1 4488882 LZDPSTAWKNMRTB-GFCCVEGCSA-N 285.343 2.639 30 50 CFEA CC1(C)CC(=O)C2=C(C1)NC(C(=O)O)=C[C@@H]2c1ccccc1 100161753 SCDNFSRISGJXPH-GFCCVEGCSA-N 297.354 2.985 30 50 CFEA CCn1cc(CN2CCC([C@@H](C)N(C)C)CC2)cc1C#N 77437728 SLHFENXHGTWTRD-CQSZACIVSA-N 288.439 2.542 30 50 CFEA N#Cc1ccccc1CS(=O)(=O)c1ccccc1 44076077 MDVRSLRSVHAHNX-UHFFFAOYSA-N 257.314 2.532 30 50 CFEA C#CCN1CCC[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 952876518 UPSDDEHTYUWWPT-ZDUSSCGKSA-N 289.285 2.785 30 50 CFEA C=C[C@H](C(=O)NC[C@@H](C)Cn1ccnc1C)c1ccccc1 1329611211 SEPCAOKFECYDSL-PBHICJAKSA-N 297.402 2.914 30 50 CFEA CCOC(CCB1OC(C)(C)C(C)(C)O1)OCC 169904122 VEDSPUPKZZMMLL-UHFFFAOYSA-N 258.167 2.868 30 50 CFEA in-vitro N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(N)nc1 170615135 AADHFOSMNGYJMN-UHFFFAOYSA-N 293.252 2.561 30 50 CFEA C=CCN(Cc1ccc(C)cc1)C(=O)C1(N)CCCC1 1506401778 FWOQJLLSBAKPJV-UHFFFAOYSA-N 272.392 2.781 30 50 CFEA CC(C)(C)OC(=O)[C@H]1CCCCN1c1ccc(C#N)cn1 1616037977 RJMURKLOOSGYRB-CYBMUJFWSA-N 287.363 2.654 30 50 CFEA O=C(/C=C/c1ccccc1[N+](=O)[O-])c1cccnc1 16406291 OECUXJADQAJQRH-BQYQJAHWSA-N 254.245 2.886 30 50 CFEA C/C(=N\NS(=O)(=O)c1ccccc1C)c1cccs1 284738 CBZPVLADEAVQPF-SDNWHVSQSA-N 294.401 2.759 30 50 CFEA Cc1n[nH]c(C)c1CCCN(C)Cc1ccccc1C#N 67851816 FMMQLRKWXLYMEY-UHFFFAOYSA-N 282.391 2.963 30 50 CFEA COCc1nocc1/C(O)=N/Cc1ccc(C)cc1C 328592698 ATLNCHYGTOSYSO-UHFFFAOYSA-N 274.320 2.943 30 50 CFEA CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCc2nccn2C1 328621150 AIHPRDFCRYBVTM-ZDUSSCGKSA-N 298.365 2.588 30 50 CFEA O=C(O)CCCCCC#CCO[C@H]1CCCCO1 45074635 BNWVOWGHORIPKA-CQSZACIVSA-N 254.326 2.568 30 50 CFEA O=C(/C=C/c1ccccc1)c1ccc(O)c(O)c1O 4252713 MSDGTBGJKOTHCN-SOFGYWHQSA-N 256.257 2.700 30 50 CFEA biogenic,in-vitro C=CCNc1ccccc1C(=O)NCc1c(C)n[nH]c1C 55358410 LHFDXPYJBOYLEJ-UHFFFAOYSA-N 284.363 2.554 30 50 CFEA C[C@@H]1CN(C)Cc2c1nc(N)c(C#N)c2-c1cccs1 72121962 TXEXOTVQMGUEOQ-SECBINFHSA-N 284.388 2.813 30 50 CFEA CC[C@H](CC(F)(F)F)/N=C(/O)c1snnc1C 331165866 SLBOESGXWLWZNC-ZCFIWIBFSA-N 267.276 2.882 30 50 CFEA CC1(C)CC(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)C1 334306331 HAEXFOMKIHOOFB-RHSMWYFYSA-N 290.407 2.876 30 50 CFEA C=CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)N(C)C 43199069 FIATUWHWTOJPRQ-BXUZGUMPSA-N 292.335 2.646 30 50 CFEA COc1ccc(/C=C2/C(=NO)C3CCN2CC3)cc1 252460600 GPVWFCAJCLWTPF-YWSONIHTSA-N 258.321 2.592 30 50 CFEA Cc1[nH]c(=NC(=O)c2cc(Cl)ccc2F)ccc1C#N 1875316947 KIVBZSOZDSHAAD-UHFFFAOYSA-N 289.697 2.728 30 50 CFEA C=CCOCC(=O)N1CC(C)(C)[C@H]1c1ccccc1 952888251 PUSCFJIOBRIAMC-OAHLLOKOSA-N 259.349 2.799 30 50 CFEA CC(C)CC1CCN(Cc2c(C#N)ncn2C)CC1 1776002913 LWLOFEDROLGWSK-UHFFFAOYSA-N 260.385 2.550 30 50 CFEA CCCCCCCC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 170591490 BUYCPSKTGSFHQJ-HOCLYGCPSA-N 283.412 2.801 30 50 CFEA CC1CC(C#N)(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)C1 598304472 GOAMTJFMEPONDJ-QJKCGZJTSA-N 268.360 2.989 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1[C@@H](O)CC 585127416 ZTUGJBCLURHORW-IHRRRGAJSA-N 253.386 2.741 30 50 CFEA Fc1ccccc1-c1nnc(S)n1/N=C/c1cccnc1 5998632 OTNDQPRKRKOFQN-RQZCQDPDSA-N 299.334 2.650 30 50 CFEA C=C(Br)Cn1c(CCCO)nc2ccccc21 12343620 XZQCBQQKDDZAES-UHFFFAOYSA-N 295.180 2.870 30 50 CFEA O/N=C(Nc1ccccc1)\C(=N/O)Nc1ccccc1 13718563 IOOLYCULOQKEHU-UHFFFAOYSA-N 270.292 2.786 30 50 CFEA C=C(C)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 2325870536 CAXAUTVWWGKRDS-UHFFFAOYSA-N 278.315 2.935 30 50 CFEA COc1cccc(OC)c1C(=O)Nc1cccc(C#N)c1 614099 RYMXFUCRFLIJNY-UHFFFAOYSA-N 282.299 2.828 30 50 CFEA C=CCNC(=O)COc1c(C)cc(Br)cc1C 1779970 ZNDVYPNZBIBVMJ-UHFFFAOYSA-N 298.180 2.747 30 50 CFEA C=C1CCC[C@@]2(C)C[C@]34O[C@@H]3C(=O)CC[C@]4(C)C[C@@]12O 101140837 DRQXPAHUXFUVLH-JJTUDDRGSA-N 276.376 2.765 30 50 CFEA CCC(=O)[C@H]1CCCCN1C(=O)c1cccc(CC#N)c1 179437460 JBHCUBONIGLYHW-OAHLLOKOSA-N 284.359 2.726 30 50 CFEA C=CC[C@@]1(CO)CCCN(Cc2cc(OC)ccc2F)C1 91877144 IHQHFBMPDKIZKG-QGZVFWFLSA-N 293.382 2.985 30 50 CFEA C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NCc1nnc(CC)o1)C2 534632386 OEZQJHCPPLFEOM-ZBEGNZNMSA-N 289.379 2.631 30 50 CFEA CCOc1cc(C(N)=O)ccc1OCc1ccccc1C#N 675009488 JJHNAOOFBWPWNJ-UHFFFAOYSA-N 296.326 2.635 30 50 CFEA C=C(C)[C@@H]1CC=C(CN(C)Cc2nncn2C)CC1 670444667 SEGRPWNBMBDNRK-CQSZACIVSA-N 260.385 2.550 30 50 CFEA CCCCNCc1ccccc1B1OC(C)(C)C(C)(C)O1 169808884 XOVFRODWJPFFAR-UHFFFAOYSA-N 289.228 2.876 30 50 CFEA in-vitro C#CCCCC(=O)N1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C 408521806 JWMNZWQWLNRHKG-KGLIPLIRSA-N 293.407 2.759 30 50 CFEA C=CCN(C)C(=O)NCc1cccc(NC(C)C)c1 119368724 VSAAHFKHDMUAKI-UHFFFAOYSA-N 261.369 2.834 30 50 CFEA CC1(C)OB(c2ccc(OC(F)F)cc2F)OC1(C)C 169747278 LLJRSXMGPKHUQX-UHFFFAOYSA-N 288.074 2.726 30 50 CFEA CC(C)c1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)on1 225495445 BMONUNDFAQBOFU-ZDUSSCGKSA-N 275.352 2.952 30 50 CFEA N#Cc1cnccc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 366176046 CJHGNZQZUWBZKV-CVEARBPZSA-N 274.327 2.697 30 50 CFEA C=CCCCS(=O)(=O)Nc1ccc2n[nH]cc2c1Cl 1775989592 QJPGBIGJWGIAPQ-UHFFFAOYSA-N 299.783 2.924 30 50 CFEA CC(C)N(C)c1ccc(/C=C/c2cnc(C#N)cn2)cn1 585136009 LXDAKCZBVSIEOP-GQCTYLIASA-N 279.347 2.758 30 50 CFEA CC(C)(C)[C@@H]1CN(c2ccc(Cl)c(C#N)n2)CCO1 279636993 ZTHUPBXXMCUEQJ-LBPRGKRZSA-N 279.771 2.858 30 50 CFEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)C1(Cn2cccn2)CC1 216639884 PITCXAOBLNCBIR-GJZGRUSLSA-N 285.391 2.785 30 50 CFEA CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC[C@H](C)C#N 1614974069 DCJSYVMARNMFHQ-UPJWGTAASA-N 283.416 2.673 30 50 CFEA Cc1n[nH]c(C)c1Cc1ccc(/N=C2\C=C(O)NC2)cc1 1848443917 WOHSIYZVENWSGK-NBVRZTHBSA-N 282.347 2.692 30 50 CFEA C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cccs1 284741 QYIGWVSKOVPXJX-SDNWHVSQSA-N 294.401 2.759 30 50 CFEA CC1=CC(=NOC(=O)c2cccc(C)c2)C=C(C)C1=O 457720 DJWFSWWCWFZXMZ-UHFFFAOYSA-N 269.300 2.983 30 50 CFEA CC(C)C1=C/C(=N/S(=O)(=O)c2ccccc2)C=CC1=O 4754798 RFCDSXLOKDTQGF-FOWTUZBSSA-N 289.356 2.538 30 50 CFEA CC1=CC(=O)C=C/C1=N/S(=O)(=O)c1ccc(Cl)cc1 101028096 OWTVJOCPDVYFKX-SQFISAMPSA-N 295.747 2.555 30 50 CFEA O=C1CCCC(=O)C1=CNc1ccc([N+](=O)[O-])cc1Cl 100668309 DYHQAFATWYABMJ-UHFFFAOYSA-N 294.694 2.866 30 50 CFEA C=CC[C@@]1(C=O)CCCCN1C(=O)OC(C)(C)C 316588534 FDEKSSLYBZXPOM-AWEZNQCLSA-N 253.342 2.921 30 50 CFEA O=C1c2ccccc2N[C@@H](c2ccccc2[N+](=O)[O-])N1O 444844 FNBGTIABOVYVKH-CYBMUJFWSA-N 285.259 2.551 30 50 CFEA biogenic CC1(C)OB(C2=C[C@H]3CC[C@@H](C2)N3C2CC2)OC1(C)C 261361463 BRKDMYLTJDNNMN-KGLIPLIRSA-N 275.201 2.943 30 50 CFEA C=CC[C@H](CN(C)Cc1nncn1C)c1ccccc1 952883296 VTRSOIPNWCSANT-OAHLLOKOSA-N 270.380 2.607 30 50 CFEA C[Si](C)(C)CCNc1nccc(C#N)c1[N+](=O)[O-] 170619606 FEZJODQUPVEWKN-UHFFFAOYSA-N 264.361 2.612 30 50 CFEA N#Cc1c(NC[C@@]23CCCC[C@H]2C3(F)F)cc[nH]c1=N 2325780803 QCIKPDRQHNEUNN-YPMHNXCESA-N 278.306 2.603 30 50 CFEA COc1ccc(C(=O)ON=C2C=C(C)C(=O)C(C)=C2)cc1 102112 XPJOSLKXXOAVEN-UHFFFAOYSA-N 285.299 2.683 30 50 CFEA O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccccn1 4798315 YCHBSERUZJISSM-BQYQJAHWSA-N 254.245 2.886 30 50 CFEA C[C@@H](c1ccccc1)[C@@H]1CNC(=NCc2ccccc2)N1 1875278884 RUEFXRJFISOPHI-YOEHRIQHSA-N 279.387 2.908 30 50 CFEA CCOc1cc(C#N)ccc1OC[C@@H]1C[N@@]1CC(C)C 1875382075 PVGSBWKTZAVZLG-KBXCAEBGSA-N 274.364 2.676 30 50 CFEA Cc1cccc([C@@]2(C(=O)N=C3C[C@H](C)ON3)CC2(F)F)c1 1875330493 ZVGWSWJNZICLAM-IINYFYTJSA-N 294.301 2.510 30 50 CFEA CC1(C)CC[C@H](N2CCCn3nc(C#N)cc3C2)C1 1857709546 DQCTZFTZJXEGBG-ZDUSSCGKSA-N 258.369 2.539 30 50 CFEA CCCCCCCC(=O)NC(C(N)=O)=C(Cl)Cl 1775975440 AXAPUIZHCPGHCX-UHFFFAOYSA-N 281.183 2.595 30 50 CFEA CCOC(=O)c1c(C)oc2ccc(OCC#N)cc12 2286549 DXXUVLBRVGNWBD-UHFFFAOYSA-N 259.261 2.820 30 50 CFEA biogenic CC(C)CN1CCC[C@H](CNC(=O)c2ccccc2C#N)C1 67788776 LHXLEKOLHKTLEP-OAHLLOKOSA-N 299.418 2.656 30 50 CFEA CN(Cc1nc2c(s1)CCCC2)c1cc(C#N)ccn1 283745660 JVUXLNQMFXLNGW-UHFFFAOYSA-N 284.388 2.925 30 50 CFEA C#CCCC1(CCC(=O)NCCN(C)c2ccccc2)N=N1 952881872 NMKODPCRYVKRMY-UHFFFAOYSA-N 298.390 2.595 30 50 CFEA C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCc2cccnc21 585122571 BKYUMSJIENDSDC-JSGCOSHPSA-N 258.365 2.830 30 50 CFEA C[C@H](CC#N)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 585105569 DUMAHOBKUGONLZ-HZPDHXFCSA-N 299.418 2.659 30 50 CFEA Cc1ccc(NC(C)(C)C(=O)N2CCC(C#N)CC2)cc1 1506397614 VJTIFGDALSHSKE-UHFFFAOYSA-N 285.391 2.948 30 50 CFEA C[C@@H](CN(C)Cc1ccccc1C#N)CN1CCCC1 1529197820 XCTDULBSELOODH-HNNXBMFYSA-N 271.408 2.722 30 50 CFEA C=CCNC(=O)CN(C)C[C@]1(c2ccccc2)CC1(C)C 1529173477 WQXITAOSEMDRRG-SFHVURJKSA-N 286.419 2.588 30 50 CFEA O=C1C=CC(=O)[C@H]2[C@@H]1[C@H]1C3=C([C@H]4CC[C@H]3C4)[C@H]2C12CC2 257358955 XNEFJUNJLZTNMN-HMVCDSDVSA-N 266.340 2.693 30 50 CFEA Cc1nc(C#N)c(NC[C@@H](C)N2C[C@@H](C)C[C@@H](C)C2)o1 826802938 RIQXBPIJTDYXDB-GRYCIOLGSA-N 276.384 2.633 30 50 CFEA Cc1cc(C)c2c(c1)CN(c1cnc(C#N)cn1)CC2 275003616 OFLHRIMTFSBJHP-UHFFFAOYSA-N 264.332 2.528 30 50 CFEA Cc1cnn(-c2cc(N/N=C/c3ccc(F)cc3)ncn2)c1 4595714 PAFAQKAIDVNDRX-UFWORHAWSA-N 296.309 2.556 30 50 CFEA N#Cc1ccccc1CN1CCC(C2CCNCC2)CC1 1857713528 ZVLPDKUWNJFMNJ-UHFFFAOYSA-N 283.419 2.770 30 50 CFEA C=CCn1c(CCNC(=O)CCC)nc2ccccc21 201064 CEOPPVLAGASSPZ-UHFFFAOYSA-N 271.364 2.681 30 50 CFEA CC/C(=N\O)C(=O)c1ccc(Br)cc1 100302617 VPMZKAFOSNHSHL-FMIVXFBMSA-N 256.099 2.872 30 50 CFEA CCC(=O)C1=C(NCc2nc3ccccc3[nH]2)CCCC1=O 1425488 SAFXHLUEHYYUDZ-UHFFFAOYSA-N 297.358 2.639 30 50 CFEA N#Cc1ccc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)nc1 275509180 DCQKHDMRSRFLGS-OAHLLOKOSA-N 293.374 2.897 30 50 CFEA C[C@H]1CCN(c2cccc(-n3cccn3)c2C#N)C1 576240717 HBTCWAUDXORYDX-LBPRGKRZSA-N 252.321 2.590 30 50 CFEA N#Cc1c(F)cccc1N1CCC[C@H](c2ccn[nH]2)C1 301146432 LXHMRWVFHGXDAN-NSHDSACASA-N 270.311 2.804 30 50 CFEA CC(C)(COCc1ccccc1)C(=O)N[C@H](C#N)C1CC1 242140867 WPYGNMXKJBJDAL-OAHLLOKOSA-N 286.375 2.648 30 50 CFEA N#Cc1ccnc(CN2CC[C@@H]3CCCC[C@H]3C2)c1 299797052 OLFNCFYZVCJYNY-GJZGRUSLSA-N 255.365 2.965 30 50 CFEA C[C@@](O)(CNC1CCC(C#N)(c2ccccn2)CC1)C1CC1 2325777998 VYOPJDLBTVPICM-IIIMJFFVSA-N 299.418 2.536 30 50 CFEA CC1(C)CC(=O)C(=CNc2ccccc2O)C(=O)C1 171583 SQOBRXGLLMOCKF-UHFFFAOYSA-N 259.305 2.646 30 50 CFEA C=CCn1c(SC)nnc1-c1cccc([N+](=O)[O-])c1 264344 GMBHPWLXQBSOBR-UHFFFAOYSA-N 276.321 2.761 30 50 CFEA N/N=C(\c1ccccc1)c1cc(Br)ccc1N 4748255 IRDUHPSVEBCHJM-GHRIWEEISA-N 290.164 2.742 30 50 CFEA C=CCN(Cc1ccc(F)cc1)C(=O)COC(C)C 55271731 XGLWHWKDBFUTKW-UHFFFAOYSA-N 265.328 2.765 30 50 CFEA CC(Nc1ccccn1)=C1C(=O)c2ccccc2C1=O 9207386 LFQCKDPIDAUXIT-UHFFFAOYSA-N 264.284 2.847 30 50 CFEA O=C(N[C@@H]1CCCCC[C@@H]1c1ccccc1)[C@H]1CO1 1875372722 LKPHICDOBUMDPK-RBSFLKMASA-N 259.349 2.618 30 50 CFEA N/C(=N\C(=O)c1ccc(F)cc1)Nc1nc2ccccc2o1 13110457 LNDDBTUAMXKZQK-UHFFFAOYSA-N 298.277 2.534 30 50 CFEA aggregator N#Cc1ccc(C(=O)NCc2ccccc2)c(F)c1 4857285 OQXCNEJYLQBWMT-UHFFFAOYSA-N 254.264 2.627 30 50 CFEA Cc1ccc(C(/C=C2\Nc3ccccc3NC2=O)=N\N)cc1 108415354 JKZLAIZTJWCMDF-GXOGYANLSA-N 292.342 2.606 30 50 CFEA CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C=O)C1 1775955612 KXAUKCQSYITOOZ-LBPRGKRZSA-N 261.321 2.720 30 50 CFEA CC[C@H]1OCCC[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 408474827 SFXCLGBJAKUDQS-HZPDHXFCSA-N 286.375 2.722 30 50 CFEA COC(=O)c1ccc(S[C@H](C)C(C)C)c(C#N)n1 408522123 DETFNVTZPXRPEO-SECBINFHSA-N 264.350 2.876 30 50 CFEA COC(=O)[C@@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 169745248 SXBXVZNWDYRGPR-SNVBAGLBSA-N 266.146 2.517 30 50 CFEA in-vitro CC(C)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169748020 KUQCOTSTUVAICI-UHFFFAOYSA-N 261.174 2.806 30 50 CFEA in-vitro N#C[C@@H](CC1CC1)C(=O)N1CCO[C@H](c2cccs2)C1 170080071 XMNNHYJREATXDS-OLZOCXBDSA-N 290.388 2.588 30 50 CFEA CC(=O)c1cc[n+](CC(=O)c2ccc(Cl)cc2)cc1 5613433 NWPYPNSQSMEXML-UHFFFAOYSA-N 274.727 2.713 30 50 CFEA Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C 169904623 MIEUCKKPTOQUFH-UHFFFAOYSA-N 250.122 2.742 30 50 CFEA C[C@@H]1C[C@@H]1CN/C(O)=N/C[C@H]1CCO[C@@H]1C(C)(C)C 328616428 BRMYVPMNVBSANZ-LPWJVIDDSA-N 268.401 2.597 30 50 CFEA N#Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 282047 CXIUQNYZBOKINB-UHFFFAOYSA-N 267.244 2.719 30 50 CFEA O=S(=O)(CCc1ccccc1)/N=C/c1cccs1 3217539 MATYVFNCSUKKKF-SDNWHVSQSA-N 279.386 2.740 30 50 CFEA CC(=O)OC1=CC=C2C=C(C(C)=O)c3ccccc3[C@@]23O[C@@H]13 4583022 CGWRTRGFUKIGPA-ROUUACIJSA-N 294.306 2.654 30 50 CFEA C[C@H]1CCCC[C@H]1C(=O)N1CC(=O)Nc2ccc(C#N)cc21 332306503 OIGDSGDCUFCSOD-WCQYABFASA-N 297.358 2.670 30 50 CFEA CC#CC(=O)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 1875367447 BUPNJFVLUTVEFI-UHFFFAOYSA-N 296.370 2.728 30 50 CFEA C#CCCC1(CCC(=O)NC[C@@H]2OCc3ccccc32)N=N1 952879829 BLGXFXVAFSAOFP-HNNXBMFYSA-N 297.358 2.730 30 50 CFEA CC(C)(C#N)C(=O)Nc1cc(C(F)(F)F)ccn1 170593469 ZUCZJVXAWARTHQ-UHFFFAOYSA-N 257.215 2.589 30 50 CFEA CNC(=NCc1ccc(COc2ccccc2)cc1)NC 170611496 UFXYNBIZDIUIPG-UHFFFAOYSA-N 283.375 2.560 30 50 CFEA C#C[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CCCO1 775428357 NCIVBKAKCCAAHV-STQMWFEESA-N 296.729 2.781 30 50 CFEA C=CCO/N=C(\CCC)C1=C(N)CC(C)(C)CC1=O 19204897 WHAQHRPGZUYDCL-SFQUDFHCSA-N 264.369 2.947 30 50 CFEA Cc1ccn(Cc2sccc2Cl)c(=O)c1C#N 253417812 LMSDFUPPANYWQB-UHFFFAOYSA-N 264.737 2.792 30 50 CFEA N#Cc1cnc(N2CC[C@H](c3ccncc3)C2)c(Cl)c1 599100462 IKAMUZQZGVQGTQ-ZDUSSCGKSA-N 284.750 2.996 30 50 CFEA C=CCNC(=O)c1cc(-c2ccccc2Cl)on1 2877735 KSWTZFHGJYKKBY-UHFFFAOYSA-N 262.696 2.911 30 50 CFEA C=CCOc1cccc(C(=O)NCc2ccco2)c1 4869960 OFYDQPLVAJLACQ-UHFFFAOYSA-N 257.289 2.774 30 50 CFEA C=CCSc1nc(C)c(CCC(C)C)c(=O)[nH]1 8767735 JBGPIEUSMSSQRP-UHFFFAOYSA-N 252.383 2.945 30 50 CFEA O=C[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OCc1ccccc1 100235374 NGCKJIDKOVNEIV-QKDCVEJESA-N 273.332 2.765 30 50 CFEA Cc1cc(Br)c(N)c(Br)c1C#N 71792165 XRVWFBJYGVYCNE-UHFFFAOYSA-N 289.958 2.974 30 50 CFEA CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3)O[C@@H]2C1 242543499 KCNPMWOOFGBZDW-CZUORRHYSA-N 275.348 2.922 30 50 CFEA N#Cc1ccc(N2CCC(CCCn3ccnc3)CC2)cn1 253427572 WGABRHFXACIDQW-UHFFFAOYSA-N 295.390 2.847 30 50 CFEA Cc1c(C#N)cccc1NC(=O)NCC(F)(F)F 253418621 UFSMCRKIUQVUIV-UHFFFAOYSA-N 257.215 2.551 30 50 CFEA CC#CC(=O)N(CCc1ccccn1)[C@H]1CCC[C@@H]1C 1875369738 DQHHYYLXRQIGFV-HOCLYGCPSA-N 270.376 2.665 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](O)C12CCCCC2 585113637 CNLUOVPKKJQNLE-ZIAGYGMSSA-N 265.397 2.885 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1CO 585126548 BSCFLJXXTANZGB-TZMCWYRMSA-N 259.349 2.539 30 50 CFEA CCC[C@@H]1O[C@@]23CCCC[C@@H]2[C@@](C#N)(C(=N)O3)C1(C#N)C#N 169298635 QSYAOBUMIKSMLP-GUYJKWIASA-N 298.346 2.623 30 50 CFEA COc1cccc(/C=N/Nc2nc(C)cs2)c1OC 4338820 ZBAMTDSQDYSJPE-VGOFMYFVSA-N 277.349 2.915 30 50 CFEA O/C(=N/Cc1nc2cccnc2[nH]1)[C@@H]1CC12CCCC2 328792589 ZUSIAZDTBNJFOD-JTQLQIEISA-N 270.336 2.995 30 50 CFEA N#Cc1ccc(CN2CCO[C@H]3CCCC[C@H]32)c(F)c1 230251143 TTYOEXKLJPDSJV-CVEARBPZSA-N 274.339 2.841 30 50 CFEA N#Cc1ccc(=N[C@H](c2ccccc2)C2CC2)[nH]c1N 583391139 LKXCNHVRSALOON-OAHLLOKOSA-N 264.332 2.521 30 50 CFEA O=C(C[n+]1ccccc1-c1ccccn1)c1ccccc1 1667619 MIDRXBKINTVCHN-UHFFFAOYSA-N 275.331 2.919 30 50 CFEA Cc1c(Cl)ccc2c1NC(=O)/C2=N\Nc1ccccn1 4713016 VVIWQMCSEKFQBE-UHFFFAOYSA-N 286.722 2.812 30 50 CFEA N#CC(=O)c1ccccc1-c1ccccc1C(=O)C#N 100805872 KRBWCGJJGHSNDT-UHFFFAOYSA-N 260.252 2.766 30 50 CFEA Cc1nc(-c2ccncc2)sc1C(=O)/C=C/N(C)C 1402755 PSXADHPGVVKHOX-RMKNXTFCSA-N 273.361 2.772 30 50 CFEA CCn1cc([C@H]2OCC[C@@H]2/N=C(/O)Cc2ccoc2)cn1 328626719 LZVMBCFRYVWOOX-DZGCQCFKSA-N 289.335 2.525 30 50 CFEA N#Cc1ccc(-c2ccc(CNCCCO)cc2)cc1 32593088 MPCAPLOYMUUCRS-UHFFFAOYSA-N 266.344 2.697 30 50 CFEA CC#CCN[C@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1 129707768 GYRSECUUAXQGFS-GFCCVEGCSA-N 294.280 2.526 30 50 CFEA N#Cc1cc2c(nc1-c1cccc(CO)c1)CCCC2 426420839 WZIJJRJASJVHSC-UHFFFAOYSA-N 264.328 2.991 30 50 CFEA CCn1c([C@H](C)Nc2ccc(C#N)nn2)nc2ccccc21 162152375 HHAZUUOUNMUHOX-NSHDSACASA-N 292.346 2.891 30 50 CFEA Cc1cc(C)nc(CN(C)C(=O)c2cc(F)cc(C#N)c2)c1 952980122 CPBMDMZEYXWKMY-UHFFFAOYSA-N 297.333 2.981 30 50 CFEA C#CCC(C)(C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C 193657387 PJSIIFKBWFXFBG-GDBMZVCRSA-N 286.419 2.844 30 50 CFEA CCOc1ccc(/C=N/NC2=NCCCCC2)cc1 3174119 YNWYHEDBZZVZMM-SFQUDFHCSA-N 259.353 2.981 30 50 CFEA N#Cc1c(Br)cccc1N1CC(F)(F)C1 169725829 LFRWHHQKQGIYCJ-UHFFFAOYSA-N 273.080 2.776 30 50 CFEA CC[C@@H](N=c1cc(C)c(C#N)c(C)[nH]1)c1ccncc1 2356140047 RGUUSAWNJUTOTQ-OAHLLOKOSA-N 266.348 2.950 30 50 CFEA CC[C@@H](Oc1ccccc1)C(=O)O/N=C(\N)c1ccccc1 4978431 XJBTUCSJEVXGHN-OAHLLOKOSA-N 298.342 2.708 30 50 CFEA COc1ccc2nc(C(=O)N[C@@H](C#N)C(C)(C)C)ccc2c1 225451468 PNPVYQUUSSDBSG-HNNXBMFYSA-N 297.358 2.911 30 50 CFEA COc1ccnc(CN[C@H](C)c2ccc(C#N)cc2)c1OC 225577902 UXDRDPLQTSHOKJ-GFCCVEGCSA-N 297.358 2.821 30 50 CFEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1CC(C)(C)C 71419578 CFUGDBWYJRNJPM-UHFFFAOYSA-N 283.379 2.833 30 50 CFEA N#CCC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl 334843726 XXCAGAOTFQZSTJ-JTQLQIEISA-N 280.730 2.926 30 50 CFEA Cc1c(I)cccc1CC#N 238503890 ASXSGRWJIRQOIR-UHFFFAOYSA-N 257.074 2.666 30 50 CFEA CC(C)=CC[C@]1(CO)CCCN(c2cc(C#N)ccn2)C1 91985771 FXIBENHYQQEWLU-QGZVFWFLSA-N 285.391 2.888 30 50 CFEA C#CCN(C(=O)c1cc(-c2ccccc2)no1)C1CC1 273983592 APCAQVHNGYXJRL-UHFFFAOYSA-N 266.300 2.579 30 50 CFEA C[C@H](c1cccnc1)N(C)Cc1cc(C#CCO)cs1 952981007 YODZNHKUXWDDBF-CYBMUJFWSA-N 286.400 2.680 30 50 CFEA [N-]=[N+]=Nc1cnn(-c2ccccc2)c(=O)c1Br 2080385509 MIKMYMCROMQVLZ-UHFFFAOYSA-N 292.096 2.937 30 50 CFEA Cc1ccc(S(=O)(=O)[C@H](C=O)c2ccccc2)cc1 3122362 JFVOBSXXARFLDJ-OAHLLOKOSA-N 274.341 2.709 30 50 CFEA CC1(C)CC(=O)C(=CNc2ccc3cn[nH]c3c2)C(=O)C1 100446527 YXSYYVFJAVAQTH-UHFFFAOYSA-N 283.331 2.817 30 50 CFEA C=CCn1cc(CN(C)[C@H](C)c2ccon2)c(C)n1 55370175 KGLRTQUCGQOHOM-GFCCVEGCSA-N 260.341 2.559 30 50 CFEA C#C[C@@H](C)N(C)C(=O)c1cc(C)cc2c(C)ccnc12 252488541 IUNGMQZXJPLARY-CYBMUJFWSA-N 266.344 2.945 30 50 CFEA COc1nccc(-c2cccc3c2OCC3)c1C#N 96147967 IZAPZQNMOVHBJD-UHFFFAOYSA-N 252.273 2.564 30 50 CFEA N#CCNC(=O)c1cc(-c2ccco2)nc2ccccc12 749608275 CCIDKCZJHWTGTE-UHFFFAOYSA-N 277.283 2.748 30 50 CFEA C#CCOc1cccc([C@H](C)NC2CCN(C3CC3)CC2)c1 1616028598 MHWKIAHPADWUKN-HNNXBMFYSA-N 298.430 2.976 30 50 CFEA C=CC(=O)Nc1ccc(C(=O)N(CC)[C@H](C#N)CC)cc1 1121161090 NBCNSWOYCBKRLE-AWEZNQCLSA-N 285.347 2.575 30 50 CFEA N#Cc1ccc(-c2n[nH]cc2CNC2CCCC2)cc1 2325789848 RUKKYRXBMGUNBK-UHFFFAOYSA-N 266.348 2.981 30 50 CFEA Cc1cc(C)c(C#N)c([S@@](=O)Cc2ccccc2)n1 4977889 IAQYXTBUOWEFQZ-LJQANCHMSA-N 270.357 2.878 30 50 CFEA OC(=Nc1ncc(C(F)(F)F)[nH]1)[C@H]1CCCOCC1 328721412 RDPUNNDZBBVTPN-ZETCQYMHSA-N 277.246 2.833 30 50 CFEA CC#CC(=O)N[C@H](Cc1cccc(O)c1)c1ccccc1 1875363252 NYADHUCCPDBZEN-QGZVFWFLSA-N 279.339 2.816 30 50 CFEA CC(C)(C)c1nc(C(=O)N2CC(F)(F)C[C@@H]2C#N)cs1 1775998979 NIKWDUGPOFOPFC-MRVPVSSYSA-N 299.346 2.814 30 50 CFEA COC(=O)[C@@H]1CCN(c2c(Cl)cccc2C#N)C[C@@H]1C 277029211 ZQMCACZYFVRNBF-CMPLNLGQSA-N 292.766 2.847 30 50 CFEA CC1(C)OB(c2cc3ccc(F)cc3[nH]2)OC1(C)C 169935429 ZHTMYMRIYSNMNH-UHFFFAOYSA-N 261.105 2.606 30 50 CFEA in-vitro C=CCOc1ccccc1C(=O)NCCCCCCO 170591901 DVHXFNFHXZKYPG-UHFFFAOYSA-N 277.364 2.534 30 50 CFEA CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 307134547 ONGPJANCOMXGQL-UHFFFAOYSA-N 295.575 2.598 30 50 CFEA CC(C)(C)C[C@@H](CO)NCc1cc(C#N)cs1 305222420 ULNMBMZYTARGFR-NSHDSACASA-N 252.383 2.506 30 50 CFEA C=C(C)CN(CC)Cc1cc(OC)c(O)c([N+](=O)[O-])c1 4988981 REGFPQSDDNAHEX-UHFFFAOYSA-N 280.324 2.707 30 50 CFEA O=C(O)[C@](F)(N(C(F)(F)F)C(F)(F)F)C(F)(F)F 100912133 DTRWLFVXPPXISV-REOHCLBHSA-N 297.048 2.641 30 50 CFEA C[C@@](O)(C#CCN1CCCC[C@H]1c1cccnc1)C1CC1 245226014 DGDQAXYQNZLNJU-ZWKOTPCHSA-N 284.403 2.773 30 50 CFEA biogenic C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1nc(C(F)(F)F)no1 952877201 MWURAOKVQJNMDQ-CIUDSAMLSA-N 288.273 2.821 30 50 CFEA CC(C)(C)OC(=O)N1CCC[C@]2(C=O)CCC[C@@H]12 1772716273 DIMDOBRGSSYNEH-RISCZKNCSA-N 253.342 2.755 30 50 CFEA Cc1cc(C)nc(/N=C(/N)Nc2ccc(F)c(Cl)c2)n1 19808546 RGHCLRGUTICRQP-UHFFFAOYSA-N 293.733 2.944 30 50 CFEA C=C/C(O)=N/[C@@H]1C[C@H](OCC)[C@H]1Oc1ccccc1 328596804 AEAGMXGJVDAIAK-IPYPFGDCSA-N 261.321 2.754 30 50 CFEA CCn1cc([C@H]2OCC[C@@H]2/N=C(/O)[C@@H]2C[C@H]2C2CC2)cn1 328633660 SSMBJOSUSTZXRJ-LJISPDSOSA-N 289.379 2.736 30 50 CFEA C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CC#N 408524168 YQIGDOVRKHZTHM-QMMMGPOBSA-N 276.727 2.649 30 50 CFEA Cc1occc1C(=O)O/N=C(\N)c1ccc(Cl)cc1 13635646 WDBPCBPBXBUZBT-UHFFFAOYSA-N 278.695 2.719 30 50 CFEA N#Cc1cc2c(nc1NCCc1cscn1)CCCC2 112406166 QPTOSWDWLABBTI-UHFFFAOYSA-N 284.388 2.943 30 50 CFEA CC[C@H](C)NC=C1C(=O)CC(c2ccccc2)CC1=O 102884280 CNGRYLDSHKKVRW-NBFOIZRFSA-N 271.360 2.974 30 50 CFEA C[C@@]1(c2ccc(F)c(Br)c2)O[C@H]1C#N 306389575 YUGZSRBBKDHUEF-UWVGGRQHSA-N 256.074 2.726 30 50 CFEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)c1ccoc1C 328628117 NIHASVXFGKBESX-STQMWFEESA-N 289.335 2.639 30 50 CFEA N#CC1(c2ccccc2)CCN(C(=O)[C@H]2CCCCO2)CC1 97547864 JMFLNHAOYUKJOV-MRXNPFEDSA-N 298.386 2.639 30 50 CFEA N#Cc1cc(C(=O)O)c(Br)c(C(F)F)c1 263623363 GUITVDWTJNKUMV-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA C#CCCC1(CCC(=O)N2CC[C@]3(C2)CC3(F)F)N=N1 952882139 RUXGTPQYHAEXDJ-GFCCVEGCSA-N 281.306 2.600 30 50 CFEA C=C1[C@@H]2CN(CCO)C[C@H]3[C@H]2[C@@H](C(C)C)CC[C@@]13C 1772820306 DROLRDZYPMOKLM-XAJHFOFHSA-N 263.425 2.785 30 50 CFEA Oc1ccccc1[C@@H](C#Cc1ccccc1)N1CCOCC1 19368525 JJGXBEHOZAMDAR-GOSISDBHSA-N 293.366 2.817 30 50 CFEA CC(=O)O/N=C1/c2ccccc2COc2ccccc21 2529500 QDPISSMCUKDUHS-MSUUIHNZSA-N 267.284 2.895 30 50 CFEA N#Cc1cc(F)c(NCc2cccc(CO)c2)c(F)c1 127092632 PSQZJQYDOCUFBC-UHFFFAOYSA-N 274.270 2.941 30 50 CFEA COc1cccc(C(=O)OCc2ccccc2C#N)c1 2630007 KKNDURZMPZWVEW-UHFFFAOYSA-N 267.284 2.924 30 50 CFEA N/C(=N\OC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 4723514 FKDAIPOLSXCCGF-UHFFFAOYSA-N 292.697 2.956 30 50 CFEA Cc1ccc(CC(=O)NC(C)(C)C#N)cc1Br 225466352 BLZRSWYQEUSMKG-UHFFFAOYSA-N 295.180 2.718 30 50 CFEA O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\O 100001998 HBDSHCUSXQATPO-BGBJRWHRSA-N 277.283 2.654 30 50 CFEA in-vivo Cc1occc1/C(O)=N/C[C@@H]1CCN(C)[C@H]1c1cccnc1 328625708 KYAMTKFXDDHECT-HOCLYGCPSA-N 299.374 2.981 30 50 CFEA N#Cc1ccncc1N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 366631956 HCJNVEVDGBJGMJ-HIFRSBDPSA-N 298.390 2.546 30 50 CFEA CC1(C#N)CCN(C(=O)CCCN2CCCCCC2)CC1 670472566 ZFPFCOVJKRESES-UHFFFAOYSA-N 291.439 2.795 30 50 CFEA CC[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 408474828 SFXCLGBJAKUDQS-JKSUJKDBSA-N 286.375 2.722 30 50 CFEA C/C(=N/N=C1\NC(=O)[C@H](C)S1)c1ccc(Cl)cc1 5061368 BFDGLHFZBLDWBW-IIVQSHCLSA-N 281.768 2.672 30 50 CFEA O/C(=N/Cc1nc2cccnc2[nH]1)[C@H]1CC12CCCC2 328792591 ZUSIAZDTBNJFOD-SNVBAGLBSA-N 270.336 2.995 30 50 CFEA CN1CC[C@@H](C/N=C(/O)c2ccoc2)[C@@H]1c1cccnc1 328640999 XTEIPHOJZBZPQD-ZFWWWQNUSA-N 285.347 2.672 30 50 CFEA Cc1ccc(S(=O)(=O)OCC2CCCC2)cc1 39247653 VROBVTOKXNHTBI-UHFFFAOYSA-N 254.351 2.891 30 50 CFEA C/C(=C\C(=O)N[C@H](C#N)C1CC1)c1cccc(F)c1 171829502 VOFAIJSUHXUKNK-DNGMOHDESA-N 258.296 2.647 30 50 CFEA C=CC[C@@]1(CO)CCCN(C(=O)c2cncc(Cl)c2)C1 92028284 QCUCKHKBNCSSFG-OAHLLOKOSA-N 294.782 2.526 30 50 CFEA C=C(C)CN(CC)C(=O)C1CCN(CC(C)C)CC1 236117 VLACZINVFZEXLE-UHFFFAOYSA-N 266.429 2.779 30 50 CFEA C=CCSc1nc(N)c2c(C)c(C(=O)O)sc2n1 10274668 YZFIHSAFKRNDIX-UHFFFAOYSA-N 281.362 2.558 30 50 CFEA N#Cc1c(N)nc2c(c1-c1ccsc1)[C@H]1CC[C@@H](C2)N1 71758771 BSECOJKSHUIYPC-GXSJLCMTSA-N 282.372 2.613 30 50 CFEA C[C@H]1C/C(=C/C=C/N(C)C)C(=O)/C(=C/C=C/N(C)C)C1 954191286 HZTNVWFOZYJJLD-GROLDSBPSA-N 274.408 2.989 30 50 CFEA C[C@@H]1CCN(c2cccc(-n3cccn3)c2C#N)C1 576240716 HBTCWAUDXORYDX-GFCCVEGCSA-N 252.321 2.590 30 50 CFEA COc1cc(/C=N/O)ccc1Oc1ccc([N+](=O)[O-])cn1 177829 VXAFGQZAGKZJEH-VIZOYTHASA-N 289.247 2.599 30 50 CFEA Cc1nc(Oc2ccc(C#N)cc2Cl)nc(N(C)C)n1 359227639 WUZIIXQNRFMSGK-UHFFFAOYSA-N 289.726 2.563 30 50 CFEA CCn1cc(/C=C/C(=O)c2ccc(O)cc2)c(C)n1 4349830 SFCUSJOYYNAHAS-RMKNXTFCSA-N 256.305 2.813 30 50 CFEA biogenic,in-vitro C=CCn1c(S)nnc1COc1ccc(C)cc1 5968711 KHPSHDLGIFLKSX-UHFFFAOYSA-N 261.350 2.640 30 50 CFEA in-vitro CC#CC(=O)N[C@H]1CCCC[C@H]1Oc1cccc(C)c1 801174964 BVQQXVJYSOCXFQ-JKSUJKDBSA-N 271.360 2.825 30 50 CFEA Cc1ccc(C#Cc2ccc(N)c([N+](=O)[O-])c2)cc1 953048022 QYLWIBSSJGVJOC-UHFFFAOYSA-N 252.273 2.885 30 50 CFEA COc1cc(C(=O)O)cc(-c2ccc(C#N)cc2)c1 65349671 OYUAQCQKKWSPFH-UHFFFAOYSA-N 253.257 2.932 30 50 CFEA O=C1C(=Cc2cc([N+](=O)[O-])ccc2O)C(=O)c2ccccc21 36075096 PNZODIPULPKBKE-UHFFFAOYSA-N 295.250 2.763 30 50 CFEA C=CCN1CC[C@@H](N2CC[C@@H](c3ccc(CC)cc3)C2)C1=O 433083200 OAWLYYYIQCSWME-QZTJIDSGSA-N 298.430 2.825 30 50 CFEA COc1cccc(CCC(=O)N2CCC[C@](C)(C#N)C2)c1 216056737 QFGCHPBTFXHRIC-QGZVFWFLSA-N 286.375 2.780 30 50 CFEA CC(Cl)=NOC(=O)Nc1ccc([N+](=O)[O-])cc1 239046613 FUBOKEYHEDZUPI-UHFFFAOYSA-N 257.633 2.716 30 50 CFEA CC1(C)C[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CCO1 408522600 KEPWTLAYJZMFQB-JTQLQIEISA-N 294.301 2.524 30 50 CFEA CC1(C)OB(c2ccccc2Br)OC1(C)C 196754659 BQVWGVYJHSRHSD-UHFFFAOYSA-N 282.974 2.748 30 50 CFEA in-vitro N#Cc1c(N)nc2c(c1-c1ccccc1)C(=O)CCC2 16651153 OZDICSFUAWHREO-UHFFFAOYSA-N 263.300 2.721 30 50 CFEA COc1ccccc1NC(=O)/C(O)=C\C(=O)c1ccccc1 100294494 RPYFKUNJJXTMKJ-RVDMUPIBSA-N 297.310 2.959 30 50 CFEA CCCNCc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 170007552 ZIXCEKPSFZXUAI-UHFFFAOYSA-N 293.191 2.625 30 50 CFEA Cn1cc(CNc2ccc(C#N)cc2)c(-c2ccncc2)n1 123950176 FVGLGPVRANOTGI-UHFFFAOYSA-N 289.342 2.966 30 50 CFEA CCOC(=O)/C(Cl)=N\Nc1ccc(Cl)cc1 95696950 DDJOIKUARWSPEQ-NTEUORMPSA-N 261.108 2.867 30 50 CFEA CCO/C=C(\CC)C(=O)C(F)(F)Br 536957170 DISIVPCBGUIZPX-AATRIKPKSA-N 257.074 2.874 30 50 CFEA CC1(C)OB(c2cc(N)ccc2C(F)(F)F)OC1(C)C 204568242 LNZUBJRCRHXSIF-UHFFFAOYSA-N 287.090 2.587 30 50 CFEA N#Cc1ccc(OC(F)F)c(NC(=O)Nc2cc[nH]n2)c1 192251833 BLXFJANPCWYZQM-UHFFFAOYSA-N 293.233 2.527 30 50 CFEA CC1(C)OB(c2ccc(N)c(C(F)(F)F)c2)OC1(C)C 206183876 MPVAGHXDGGCCHU-UHFFFAOYSA-N 287.090 2.587 30 50 CFEA Fc1ccc(NC(=S)N/N=C/c2ccncc2)cc1 2506480 PFWDBSKSPVULBO-CXUHLZMHSA-N 274.324 2.541 30 50 CFEA CCC1(C/N=C(/O)N=c2cc3n([nH]2)CCCC3)CCCC1 329446674 NYOBKJLURBODTN-UHFFFAOYSA-N 290.411 2.938 30 50 CFEA COc1ccc(C(=O)Oc2ccc(/C=N/O)cc2)cc1 100339624 UHHJKERSXUMNII-MHWRWJLKSA-N 271.272 2.723 30 50 CFEA Cc1cccc2c3c(ccc12)C(=O)C([C@@H](C)CO)=C(O)C3=O 18158910 MHCXKYJBQMJPRJ-JTQLQIEISA-N 296.322 2.968 30 50 CFEA biogenic,in-vitro O=C(/C=C/c1cccnc1)c1cn2c(n1)CCCC2 806563951 FPHFCKJTSVLOGC-VOTSOKGWSA-N 253.305 2.511 30 50 CFEA N#Cc1cccc(N2CCC=C(c3ccncc3)C2)n1 343940252 FDHSIMLQIBHNLJ-UHFFFAOYSA-N 262.316 2.642 30 50 CFEA COc1ccc2c(c1)OC(C)(C)CN(CCCC#N)C2 421045333 UQWYXGLAZYNFEF-UHFFFAOYSA-N 274.364 2.972 30 50 CFEA CN(C(=O)NCC1CC1)c1cc(C#N)c2ccccc2n1 1875264172 KXOILEZSGHQUHV-UHFFFAOYSA-N 280.331 2.662 30 50 CFEA C#CCOc1ccccc1CN(CCCF)C(=O)C=C 1875374474 RYDMICVKRJQEKN-UHFFFAOYSA-N 275.323 2.573 30 50 CFEA Cc1nnc([C@H]2CCCN(C(=O)C#CC(C)(C)C)[C@H]2C)o1 886096725 AONKLNJDJSWEAM-AAEUAGOBSA-N 289.379 2.522 30 50 CFEA N#Cc1ccccc1CN1CC[C@@H](c2nc(C3CC3)no2)C1 583619064 IKRAKLWUJTYCIQ-OAHLLOKOSA-N 294.358 2.808 30 50 CFEA Cc1ccc([B-](OC(C)C)(OC(C)C)OC(C)C)nc1 169935671 YLHIOSAQJPRFFC-UHFFFAOYSA-N 280.197 2.811 30 50 CFEA in-vitro CCCOc1ccccc1N/C(N)=N/c1nc(C)cc(C)n1 6352170 GVWSSDQYLQCLPF-UHFFFAOYSA-N 299.378 2.941 30 50 CFEA CC(C)(COCc1ccccc1)C(=O)N[C@@H](C#N)C1CC1 242140866 WPYGNMXKJBJDAL-HNNXBMFYSA-N 286.375 2.648 30 50 CFEA OC(=Nc1ccccc1O)c1c[nH]c2cccnc12 328594443 KKGUAOOFRONPHX-UHFFFAOYSA-N 253.261 2.905 30 50 CFEA O=C(OCCC#Cc1ccccc1)c1ccn2cncc2c1 128481719 KBLRIWQQVZQEQB-UHFFFAOYSA-N 290.322 2.933 30 50 CFEA C[C@@H]1c2ccc(F)cc2CCN1c1cnc(C#N)cn1 129987825 HLLQVJPWYVWBKJ-SNVBAGLBSA-N 268.295 2.611 30 50 CFEA Cc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)nc1C 299051314 STHSBXSJFPXKBG-AWEZNQCLSA-N 271.364 2.853 30 50 CFEA CC(C)(C)OC(=O)n1ccc(B2OC(C)(C)C(C)(C)O2)c1 169904312 STSRFVDSYZQVNM-UHFFFAOYSA-N 293.172 2.571 30 50 CFEA in-vitro Cc1ccnc(C(C)C)c1B1OC(C)(C)C(C)(C)O1 307045170 UXVOEZBSUAJLCT-UHFFFAOYSA-N 261.174 2.813 30 50 CFEA C[C@@H]1CC[C@@H]2CNC(=NC[C@H]3CCCSCC3)N2C1 2325863595 POELCRNNBUPADZ-HZSPNIEDSA-N 281.469 2.579 30 50 CFEA N#Cc1c(NC(=O)c2ccco2)sc2c1CCC2 295798 ZXMAWPIAOXWRKA-UHFFFAOYSA-N 258.302 2.954 30 50 CFEA O=C(O)CC1=C(c2ccc(Cl)cc2)CCC1=O 318173 ITHZZAJLNWKPEO-UHFFFAOYSA-N 250.681 2.931 30 50 CFEA CC1(C)Cc2c(ccc3ccccc23)C2=CC(=O)C(=O)N21 2067917 DLSBGLGTDVAWIU-UHFFFAOYSA-N 277.323 2.927 30 50 CFEA O=C(N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)[C@H]1CO1 1875373109 UDUFNOXZJNABFH-YNEHKIRRSA-N 299.292 2.857 30 50 CFEA Cc1cc(N2CC[C@H](c3cnccc3C)C2)c(C#N)cn1 585140162 KBWSGGSBZYNUEK-AWEZNQCLSA-N 278.359 2.959 30 50 CFEA CN(Cc1ccccc1C#N)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529173575 MGODDNONTMZAJX-WNKDZCFJSA-N 270.376 2.540 30 50 CFEA Cc1cccc2cc(B3OC(C)(C)C(C)(C)O3)[nH]c12 169935409 AZNAYTQOYNEGPL-UHFFFAOYSA-N 257.142 2.776 30 50 CFEA N#Cc1ccc(SCc2cccc3nccn23)nc1 2325820647 WFCGRAQXYZHXEP-UHFFFAOYSA-N 266.329 2.893 30 50 CFEA C#Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCO2 306488660 KNVWACBFDMBFFR-UHFFFAOYSA-N 259.305 2.802 30 50 CFEA CCc1nc(N2CCCC2)c(C#N)c2c1CCCC2 20255501 GVFYUYRZQZKWFK-UHFFFAOYSA-N 255.365 2.995 30 50 CFEA C=C/C(O)=N/[C@@H](c1ccc(F)cc1)c1cnn(C)c1 328599497 SLHIIVVJJJOOPL-AWEZNQCLSA-N 259.284 2.791 30 50 CFEA CC(C)C[N@]1C[C@@H]1COc1ccc(C#N)c(Cl)c1 1875378539 FVKUSACITLSUER-SJKOYZFVSA-N 264.756 2.931 30 50 CFEA CC(C)(C#N)CCCN1CCC[C@H]1[C@@H](O)C(F)(F)F 222082037 KXMNHQPTVBCXHZ-WDEREUQCSA-N 278.318 2.704 30 50 CFEA C=CCC(O)(CC=C)[C@@H](C)Nc1nc(N)nc(C)c1Cl 1529146502 ZVLYXZQIKVLXAJ-SNVBAGLBSA-N 296.802 2.704 30 50 CFEA CC(C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 169978528 DSXYYVPWEIWRFJ-UHFFFAOYSA-N 274.169 2.825 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N1Cc2ccccc2NC(=O)[C@@H]1C 585122463 KZRQCIBSIDIUCT-OLZOCXBDSA-N 286.375 2.958 30 50 CFEA C[C@@]1(C#N)CCCN(Cc2ccc3c(c2)CCO3)C1 612406841 VKWSQDKIFJRIIA-INIZCTEOSA-N 256.349 2.747 30 50 CFEA C=CCN1C(=O)c2ccccc2[C@@]1(O)c1ccc(C)cc1 209002 MPWRSLDCRFPVHB-SFHVURJKSA-N 279.339 2.830 30 50 CFEA N#C[C@]1(c2ccccc2)CCCN1C(=O)c1ccco1 331474 DSBSLIPQSXSRMM-INIZCTEOSA-N 266.300 2.935 30 50 CFEA Cc1ccnc(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1C#N 343280363 LTAFEEIJYGVTER-HOCLYGCPSA-N 297.333 2.713 30 50 CFEA C[C@@H](c1ccc(-c2nccnc2C#N)cc1)N(C)C 426490441 YDSAWQGBPRRNAH-NSHDSACASA-N 252.321 2.638 30 50 CFEA C#CCCC1(CCNC(=O)C[C@H](C)c2ccncc2)N=N1 1875381563 ZNLPDWJJRCNNGV-ZDUSSCGKSA-N 284.363 2.657 30 50 CFEA C=CCN1C(=O)/C(=C\c2ccco2)SC1=S 4854973 UERHNMHZSFJNNA-VQHVLOKHSA-N 251.332 2.667 30 50 CFEA C=CCN(CC=C)CCOc1ccc(C(=O)OC)cc1 20272577 KKIRXGOHFXGEKG-UHFFFAOYSA-N 275.348 2.526 30 50 CFEA CN(C)C=C1C(=O)CC(c2ccc(Cl)cc2)CC1=O 141375 ONXLNBUPOIEEBW-UHFFFAOYSA-N 277.751 2.801 30 50 CFEA CCOC(=O)C[C@@H]1CCCCN1Cc1cccc(C#N)c1 72150674 SMBGIDOCRBQSSI-INIZCTEOSA-N 286.375 2.866 30 50 CFEA CC(=O)SCC/C(O)=N/[C@@H]1CCOC(C)(C)C1 328592834 HLQSMZWIIVJDAM-SNVBAGLBSA-N 259.371 2.570 30 50 CFEA C=C/C(O)=N/CC[C@](O)(c1ccccc1)C(F)(F)F 328600780 ZVJCAYNOCYRZFP-LBPRGKRZSA-N 273.254 2.969 30 50 CFEA Cc1c(NCc2cccc(C#N)c2)cnn1[C@@H]1CCOC1 449539506 WFJFIXRJARVKIT-OAHLLOKOSA-N 282.347 2.637 30 50 CFEA Cc1cccnc1C(=O)N[C@H]1CCc2cc(C#N)ccc21 618783079 BROAEKJODJZNKZ-HNNXBMFYSA-N 277.327 2.679 30 50 CFEA N#Cc1cc(Br)c(C(=O)O)c(C(F)F)c1 263623539 IIIKVQGOOMJSIC-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA C[C@]1(Br)C[C@@H]1C(=O)NCC1(C#N)CCCCC1 862209363 SVKYZKSYVFGGML-PWSUYJOCSA-N 299.212 2.750 30 50 CFEA CN1CCC([C@H]2CCN(c3ccc(C#N)cc3)C2)CC1 270144119 GPWRPMHROFLAPJ-INIZCTEOSA-N 269.392 2.726 30 50 CFEA C#CCN(C(=O)Cc1c[nH]c2cccc(OCC)c12)C1CC1 275507103 RYCNUXSZUPEGBF-UHFFFAOYSA-N 296.370 2.733 30 50 CFEA CC(C)(C)n1cc(C#N)cc1NC(=O)NCC1CC1 170615441 LHIJMVSPEWAQAA-UHFFFAOYSA-N 260.341 2.646 30 50 CFEA CC(C)(C)n1cc(/C=C2/OCc3ccccc3C2=O)nn1 585086264 BHGSIRRDDOTHDO-RIYZIHGNSA-N 283.331 2.787 30 50 CFEA CC1CCC(=NNS(=O)(=O)c2ccccc2)CC1 5915757 GWIJLBPJQDNEQZ-UHFFFAOYSA-N 266.366 2.531 30 50 CFEA Cc1ccc([C@@H](C)NC(=O)c2cc(F)cc(C#N)c2)cn1 1857704635 AFPNXJGOZDCULI-LLVKDONJSA-N 283.306 2.892 30 50 CFEA C=CCNC(=O)Nc1ccccc1Br 3165327 ZYUTZFMRKIBSEV-UHFFFAOYSA-N 255.115 2.757 30 50 CFEA Cc1cc(C)cc([C@@H]2CCC[C@H]2NC(=O)CC#N)c1 377397831 IDHQKGRVBNKVSF-LSDHHAIUSA-N 256.349 2.969 30 50 CFEA C#CC/N=C(/O)N1CCC[C@@H]1/C=C/c1cccs1 328587378 JWAKKJJRWLXXIN-ABZNLYFFSA-N 260.362 2.773 30 50 CFEA C=CCN[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 248827197 GNRGSHHPSHTUCV-OSYLJGHBSA-N 256.393 2.958 30 50 CFEA C/C(=N\Nc1ncnc2sc(C)c(C)c12)c1cn[nH]c1 1875262449 CXDJCXGTRQHMII-QGMBQPNBSA-N 286.364 2.867 30 50 CFEA O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1CO1 1875372958 QMLWQMBECMJTHY-NWDGAFQWSA-N 285.265 2.672 30 50 CFEA CCOc1ccc(C#N)cc1N[C@H]1CCO[C@@H](C)C1 272665627 PLLWJFLIPMDKEM-AAEUAGOBSA-N 260.337 2.936 30 50 CFEA c1ccc(-n2cnnc2-c2ccccc2OC[C@@H]2CO2)cc1 1857780035 ALVMOIIJBNPOJF-AWEZNQCLSA-N 293.326 2.712 30 50 CFEA N/C(=N\O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 8536188 RHAVFJMKHOLIST-UHFFFAOYSA-N 297.236 2.987 30 50 CFEA C=CCCC(=O)N1CCN[C@H](c2cccc(Cl)c2)C1 366925417 LLYRXQMYAQOOFM-AWEZNQCLSA-N 278.783 2.779 30 50 CFEA Cc1nc(N=C(O)[C@@H]2C[C@@]23CCOC3)cc(C2CC2)n1 329634102 WZUTVQLQVLOJOS-XHDPSFHLSA-N 273.336 2.677 30 50 CFEA O=C(N[C@@H]1CCCCC[C@H]1c1ccccc1)[C@@H]1CO1 1875372724 LKPHICDOBUMDPK-ZNMIVQPWSA-N 259.349 2.618 30 50 CFEA C[C@]1(Cc2cccc(Cl)c2)CCCN1C(=O)[C@H]1CO1 1875372607 JGYLOTFONGADNE-UKRRQHHQSA-N 279.767 2.662 30 50 CFEA CCCN(CC#N)C(=O)c1c(Cl)cccc1OC 195579126 GCFZOTXSLRHSOK-UHFFFAOYSA-N 266.728 2.724 30 50 CFEA CC(C)c1cc(C(=O)N2Cc3ccc(C#N)cc3C2)no1 585090734 BMTDQQOXHNVSQR-UHFFFAOYSA-N 281.315 2.826 30 50 CFEA CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)F 166633 PMDLSQHFIADYJD-UHFFFAOYSA-N 278.617 2.802 30 50 CFEA in-vitro CC1(C)OB(c2ccc(OCC(F)F)cc2)OC1(C)C 169838973 QAZIETXLQXVGLM-UHFFFAOYSA-N 284.111 2.630 30 50 CFEA C=CCSc1nc(O)c(CC)c(=O)n1[C@@H](C)CC 2493841 SQBAWYKPTIKLLW-VIFPVBQESA-N 268.382 2.760 30 50 CFEA COc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 3608119 RPNJITSNSONCIN-UHFFFAOYSA-N 282.299 2.584 30 50 CFEA O=C1CS/C(=N/Cc2ccco2)N1c1ccccc1 102297209 YTZJXJFGEVQXLF-CCEZHUSRSA-N 272.329 2.916 30 50 CFEA CC(C)(C)OC(=O)N1CCC(C#N)(N2CCCCC2)CC1 381932554 SHIOSFOMSMANJY-UHFFFAOYSA-N 293.411 2.766 30 50 CFEA CC(C)CC(=O)N1CCC(CN(C)[C@H](C)CC#N)CC1 170597308 QNSXZHOUMCVZAX-CQSZACIVSA-N 279.428 2.505 30 50 CFEA C=CC[C@@H](CO)NC(=O)c1ccccc1Oc1cccnc1 170594845 JWHZNJCVQRNUSP-ZDUSSCGKSA-N 298.342 2.541 30 50 CFEA N#CCCCSCc1ncn(-c2ccccc2)n1 190996025 CKILCJJFSPHVAH-UHFFFAOYSA-N 258.350 2.804 30 50 CFEA Cc1ccc(C(C)(C)O)cc1B1OC(C)(C)C(C)(C)O1 204404153 MJKWTZQFRNRPFJ-UHFFFAOYSA-N 276.185 2.522 30 50 CFEA CC#CC(=O)N1CCC[C@@H](CCc2ccc(OC)cc2)C1 12440903 FSTMCDSRDPSBPN-INIZCTEOSA-N 285.387 2.890 30 50 CFEA N#CCc1ccccc1C(=O)NCCOc1ccccc1 2170976 AYKAWMASSSBHQW-UHFFFAOYSA-N 280.327 2.561 30 50 CFEA Cc1nn2c(N)c(C#N)cnc2c1-c1ccc(Cl)cc1 100889652 QSJUNOXTYOJJIR-UHFFFAOYSA-N 283.722 2.812 30 50 CFEA CNc1cc(NCCC#N)cc(Br)c1[N+](=O)[O-] 1775989510 BYTYUEQHLSELEG-UHFFFAOYSA-N 299.128 2.725 30 50 CFEA Cc1cc(C)c(C#N)c(N(C)CC[C@H]2CCCCO2)n1 1506400864 AIOVDWZAGUABQK-CQSZACIVSA-N 273.380 2.966 30 50 CFEA COCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 307153066 ZOINFJOTMDKYCN-UHFFFAOYSA-N 282.576 2.786 30 50 CFEA C=C(C)CNC(=O)c1cc(NC(C)=O)ccc1Cl 55131698 UAXPHBGCOLIDEC-UHFFFAOYSA-N 266.728 2.604 30 50 CFEA Cc1cccc2ncc(CN(CC#N)C3CCCC3)n12 353810467 VYYWIGDQMCOXJV-UHFFFAOYSA-N 268.364 2.911 30 50 CFEA CCOc1cc(Cl)c(Cl)c(/C=N/O)c1O 216783895 HMXZEPJWXKYXLB-UUILKARUSA-N 250.081 2.906 30 50 CFEA C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccn(CCC#N)n1 176767584 BMGSXGCBTCVYAZ-VAWYXSNFSA-N 298.321 2.978 30 50 CFEA C=C(Br)CN[C@@H]1CCCC12CCOCC2 252500055 SMLWBVDKCSDNJL-LLVKDONJSA-N 274.202 2.834 30 50 CFEA N#Cc1ccc(C(=O)N[C@@H]2CCCc3cc(N)ccc32)cc1 184700812 QREAORDEEUKQGX-QGZVFWFLSA-N 291.354 2.948 30 50 CFEA C=CCn1nc(-c2cccc(F)c2)nc1[C@@H](O)C1CC1 1875340619 KRSKGRXYFSZRSH-ZDUSSCGKSA-N 273.311 2.714 30 50 CFEA CC(C)c1nsc(NCc2ccnc(C#N)c2)n1 952992844 YHIHONDUHNJDSE-UHFFFAOYSA-N 259.338 2.540 30 50 CFEA CCOC(/C=C/B1OC(C)(C)C(C)(C)O1)OCC 169743442 ZXGPKUGXWIEUJA-MDZDMXLPSA-N 256.151 2.573 30 50 CFEA in-vitro Cc1cc(C)cc(N/C(N)=N/c2nc(C)cc(C)n2)c1 13124993 CDHZIABROIXFSK-UHFFFAOYSA-N 269.352 2.769 30 50 CFEA Cc1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1C#N 299780505 ANWIZYWUZXCGNB-GFCCVEGCSA-N 268.320 2.634 30 50 CFEA C[C@@H]1CC[C@H]2CNC(=NC[C@@H]3CCCSCC3)N2C1 2325863596 POELCRNNBUPADZ-MCIONIFRSA-N 281.469 2.579 30 50 CFEA Cc1cc(N2CCC[C@H](c3cc[nH]n3)C2)nc(C)c1C#N 2356155561 IPLLSGURCRBQBZ-ZDUSSCGKSA-N 281.363 2.677 30 50 CFEA CC(=O)Oc1ccccc1C(=O)Oc1ccc(C#N)cc1 4840528 NGBOHUAFEDQLAC-UHFFFAOYSA-N 281.267 2.703 30 50 CFEA Cc1ccnc(N/N=C/c2cc([N+](=O)[O-])ccc2Cl)n1 4996057 JZECVFUXDQNUPO-VIZOYTHASA-N 291.698 2.793 30 50 CFEA Cc1cnc([C@@H](NC(=O)CC(C)(C)C#N)C2CC2)s1 225591471 NZBQZYYXHYLFGS-LBPRGKRZSA-N 277.393 2.959 30 50 CFEA C[C@@H](CNc1cc(C#N)ccc1C(F)(F)F)[S@](C)=O 128306000 CHFRRTITTRVKTD-WPCRTTGESA-N 290.310 2.756 30 50 CFEA CCCCSc1nc(N)cc(N2CCC[C@@H](C#N)C2)n1 95381301 OBBFUIGPVOIDHB-NSHDSACASA-N 291.424 2.691 30 50 CFEA CCn1ccnc1[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 91603209 KBTCFOKPXMTILZ-OAHLLOKOSA-N 295.390 2.862 30 50 CFEA Cc1cc(C)n(N=C/C=C/c2ccccc2)c(=O)c1C#N 254820358 YTRNPYCLWYTULP-UAVYMXJMSA-N 277.327 2.884 30 50 CFEA CC#CC(=O)N(C)[C@H](CCc1ccccc1)C(F)F 863729644 JWWINMGNAOSRDD-CYBMUJFWSA-N 265.303 2.735 30 50 CFEA Cc1nc(/C=C/C(=O)c2ccc3c(c2)CCO3)[nH]c1C 585136014 MCVKRARYGTZKRR-GQCTYLIASA-N 268.316 2.858 30 50 CFEA CC1(C)OB(c2c(Cl)cncc2Cl)OC1(C)C 170162768 RGVJCGWAHPEENO-UHFFFAOYSA-N 273.956 2.688 30 50 CFEA in-vitro Cc1nc(N2CCC[C@H]2[C@@H]2CCCOC2)ccc1C#N 563052886 GLGZKRNNGJMGLL-CABCVRRESA-N 271.364 2.657 30 50 CFEA N#C[C@H]1CC[C@@H](NC(=O)NCCc2cccc3[nH]ccc23)C1 566143838 VXRZGRJNTAOTNZ-GXTWGEPZSA-N 296.374 2.702 30 50 CFEA C=CCC(=O)N[C@H]1CCCN(C2CCCCCC2)C1 12591038 TYDVRTWEPIALLO-AWEZNQCLSA-N 264.413 2.866 30 50 CFEA CN1CCN(/C(S)=N/c2ccc(Cl)cc2)CC1 13519372 FSEKXQJZLXEYGA-UHFFFAOYSA-N 269.801 2.505 30 50 CFEA O=C(C#Cc1ccccc1)c1cccc([N+](=O)[O-])c1 275255 JODIUOIVYGKAJH-UHFFFAOYSA-N 251.241 2.829 30 50 CFEA aggregator O=C(O)c1ccc(N/N=C2/COc3ccccc32)cc1 1875252773 RASYHOSSWXGAOP-LGMDPLHJSA-N 268.272 2.593 30 50 CFEA N#C[C@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1 223663918 BQQNOTSVBCYZSE-GFCCVEGCSA-N 265.316 2.611 30 50 CFEA COC(=O)CCCSc1cccc(F)c1C#N 268053562 UTDVPECAUKXVRN-UHFFFAOYSA-N 253.298 2.743 30 50 CFEA N#Cc1c(N2C(=O)C=CC2=O)sc2c1CCCCCC2 336232 QEWFLTZOTKTFAZ-UHFFFAOYSA-N 286.356 2.708 30 50 CFEA C=CCOC(=O)c1sc(NC(=O)c2ccco2)nc1C 2693433 WAVIPEVMNVXIGR-UHFFFAOYSA-N 292.316 2.640 30 50 CFEA C#C[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 225683081 JRSLFQUECOORAP-RYUDHWBXSA-N 289.335 2.627 30 50 CFEA C=CCN1CCN(Cc2cccc(Cl)c2)CCC1=O 64084395 GTDWVPIWWSJFGT-UHFFFAOYSA-N 278.783 2.560 30 50 CFEA Cc1cc2c(B3OC(C)(C)C(C)(C)O3)ccc(F)c2[nH]1 306583663 JATJCQRXVDKLNK-UHFFFAOYSA-N 275.132 2.915 30 50 CFEA C=C1C(=O)O[C@H](CCCCCCCC)[C@H]1C(=O)O 2009913 VCWLZDVWHQVAJU-NEPJUHHUSA-N 254.326 2.919 30 50 CFEA biogenic,in-vivo N#CC1(NC(=O)c2ccc3c(c2O)CCCC3)CCCC1 185971694 YFCPSDQRXICOPY-UHFFFAOYSA-N 284.359 2.837 30 50 CFEA Cc1ccsc1/C=N/N=C1/C(=O)Nc2ccccc21 310503 WJDPJPVBZDKEQV-OVCLIPMQSA-N 269.329 2.832 30 50 CFEA COCC/N=C(/S)c1ccc(Br)cc1 13522988 ZXZRXSNUITWWIR-UHFFFAOYSA-N 274.183 2.772 30 50 CFEA CC(C)O[B-](OC(C)C)(OC(C)C)c1cccc(F)n1 169935659 FIYARVIGDNUESP-UHFFFAOYSA-N 284.160 2.642 30 50 CFEA C#CCOc1ccc(C(=O)NCc2ccccc2OC)cc1 6746444 RYQWPBWTOHBGQH-UHFFFAOYSA-N 295.338 2.637 30 50 CFEA C[C@H]1CCC(C)(C)/C1=N/NS(=O)(=O)c1ccccc1 102318780 MIQZNLAVPRKPJE-VJSMGTLGSA-N 280.393 2.777 30 50 CFEA CCCNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 170007582 RVOYPFBSFWXVAM-UHFFFAOYSA-N 293.191 2.625 30 50 CFEA CCOC(=O)CN[C@H](C#N)c1ccc(Cl)c(Cl)c1 221523580 UXJHSXANLGPYMH-LLVKDONJSA-N 287.146 2.711 30 50 CFEA CCN(CC)CCC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 96026445 ADBXTHDHESJYDJ-JXMROGBWSA-N 276.336 2.909 30 50 CFEA N#Cc1cc(F)c(-c2nnc([C@H]3CCCOC3)o2)c(F)c1 886084585 MLRPUFGOSCLIRG-VIFPVBQESA-N 291.257 2.780 30 50 CFEA N#Cc1cc(CNC(=O)c2cccc(F)c2Cl)ccn1 1433960575 SBMGZVBLWWWPMD-UHFFFAOYSA-N 289.697 2.676 30 50 CFEA CCn1cc([C@H]2OCCC[C@@H]2Nc2ncccc2C#N)cn1 328639207 WSYLEUXFHWPMKT-LSDHHAIUSA-N 297.362 2.502 30 50 CFEA CC(C)CN(Cc1cnn(C)c1)Cc1ccccc1C#N 55383156 CGZRZVRZVQVGHI-UHFFFAOYSA-N 282.391 2.950 30 50 CFEA CC(=O)/C=C/c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 170007748 HFSPZIKCCJADJI-VOTSOKGWSA-N 290.143 2.727 30 50 CFEA N#CC1CCC(Nc2cnn(-c3ccncc3)c2)CC1 602587158 XMUIBWQZMGFCNX-UHFFFAOYSA-N 267.336 2.762 30 50 CFEA N#Cc1cccc(/C=C/C(=O)N2CC[C@H]3OCCC[C@H]3C2)c1 119983584 IFJJSKDHJYIALO-YMPXZSTISA-N 296.370 2.599 30 50 CFEA C=CCNC(=S)Nc1ccn(Cc2ccc(C)cc2)n1 2781937 NTDMRVQPABHRTD-UHFFFAOYSA-N 286.404 2.712 30 50 CFEA CC[C@@H](C)c1ccccc1OCC(O)=Nn1cncn1 328591909 TUQOXMKQHRDODL-LLVKDONJSA-N 274.324 2.590 30 50 CFEA CN1CCCC[C@H]1/C(O)=N/C[C@H]1CCO[C@@H]1C(C)(C)C 328614087 VGANXMRHTUCOQL-RDBSUJKOSA-N 282.428 2.878 30 50 CFEA COc1cc(NC(=O)CC#N)c(Cl)cc1Cl 35080423 RPWHAQJEZWBZGX-UHFFFAOYSA-N 259.092 2.854 30 50 CFEA CC(C)(C)OC(=O)N[C@@H](CC=O)c1ccsc1 146824840 LYCISWYLBBYIRM-JTQLQIEISA-N 255.339 2.903 30 50 CFEA C#CCCN(C)CC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 952888026 YNIDAPJLIPOIQX-KRWDZBQOSA-N 284.403 2.551 30 50 CFEA CCC#CCN1CCC(CNC(=O)c2cccs2)CC1 952872249 LZDXQNPZOFYRDV-UHFFFAOYSA-N 290.432 2.603 30 50 CFEA CCNC(=S)N/N=C/c1ccccc1C(F)(F)F 2390783 VMVPNZYAEDBYES-FRKPEAEDSA-N 275.299 2.523 30 50 CFEA C[C@@H]1CC[C@H]2CNC(=NC[C@@H]3CCCC3(C)C)N2C1 2325864670 VXSLQRZPOLNMPA-RDBSUJKOSA-N 263.429 2.872 30 50 CFEA C[C@@](O)(C#C[C@@](C)(O)c1ccccc1)c1ccccc1 1235089 HJVVXZWQDRNQEH-QZTJIDSGSA-N 266.340 2.805 30 50 CFEA C=CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1 2473065 FBQVQNDTCIECFC-LSDHHAIUSA-N 284.359 2.510 30 50 CFEA CC(=O)c1cc2cccc(B3OC(C)(C)C(C)(C)O3)c2o1 170005616 JRKLRTPPEOQKBE-UHFFFAOYSA-N 286.136 2.935 30 50 CFEA Cc1cccnc1[C@H](C)NC(=O)c1cccc(C#N)c1 67688367 ZYEWRCGUNWEQAQ-LBPRGKRZSA-N 265.316 2.753 30 50 CFEA Cn1ncc(Cl)c1/C=C/C(=O)c1csc(C(=O)O)c1 122679521 UYLSXUKKDNAHOP-NSCUHMNNSA-N 296.735 2.729 30 50 CFEA N#Cc1ccc(CN2CC[C@@H](n3cnc4c3CCCC4)C2)o1 299740834 BZSJURVNZVOCJA-CYBMUJFWSA-N 296.374 2.674 30 50 CFEA CC[C@H]1CCN(C(=O)c2cccc(C#CC(C)(C)O)c2)C1 584888428 OXJOLMRYTFPYQC-AWEZNQCLSA-N 285.387 2.681 30 50 CFEA C=CC(=O)N1CCC([C@@H](C#N)c2ccccc2)CC1 1776005590 KVQIDPXMMVMWAR-HNNXBMFYSA-N 254.333 2.718 30 50 CFEA N#Cc1cc(C(=O)Nc2cc(C3CCCC3)[nH]n2)ccn1 193296897 VKIBBERLYSWVSM-UHFFFAOYSA-N 281.319 2.586 30 50 CFEA C=CCCCCNc1cc(C(=O)NC)ccc1OC 568357965 VTROPFXRDBREOQ-UHFFFAOYSA-N 262.353 2.823 30 50 CFEA C=CCC(O)(CC=C)[C@H](C)Nc1nc(N)nc(C)c1Cl 1529146489 ZVLYXZQIKVLXAJ-JTQLQIEISA-N 296.802 2.704 30 50 CFEA N#Cc1cc(Cl)ccc1CN1C(=O)CC2(CCC2)C1=O 333471403 DIONMOZVYXADDP-UHFFFAOYSA-N 288.734 2.641 30 50 CFEA CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2C=O)CC1 2325903877 RWIZXBRTVLKGBT-LLVKDONJSA-N 253.342 2.613 30 50 CFEA C=C(C)CNC(=O)NCc1csc(-c2ccco2)n1 156704756 ZUGBZNLMUUQPLE-UHFFFAOYSA-N 277.349 2.778 30 50 CFEA CC(C)(C)OC(=O)N1CCC(C=O)(C(F)(F)F)CC1 685939336 XALZKBXGDLKILO-UHFFFAOYSA-N 281.274 2.765 30 50 CFEA N#Cc1ccc(NC[C@@H](O)c2ccc(Cl)c(F)c2)cn1 170057311 SCZDHPOZHLZWRU-CQSZACIVSA-N 291.713 2.891 30 50 CFEA Fc1ccc(COc2ccccc2/C=N/n2cnnc2)cc1 575802 LUSQGELOEOXMKC-AWQFTUOYSA-N 296.305 2.878 30 50 CFEA C=CCN1C(=O)/C(=C/c2ccco2)SC1=S 1232940 UERHNMHZSFJNNA-CLFYSBASSA-N 251.332 2.667 30 50 CFEA C[C@@H]1CC[C@@H]2CNC(=NC[C@H]3CCCC3(C)C)N2C1 2325864669 VXSLQRZPOLNMPA-MGPQQGTHSA-N 263.429 2.872 30 50 CFEA C#CCOc1ccc(C(=O)Nc2ccccc2C#N)cc1 8570413 HHVDBACVSMURNZ-UHFFFAOYSA-N 276.295 2.823 30 50 CFEA C=CCC[C@@]12[C@@H](CC[C@H]1C)CC(=O)[C@H]2C(=O)OC 71786043 TWLPUDDLQJTRCQ-MPXAEWJHSA-N 250.338 2.747 30 50 CFEA C=CCc1ccc(C(=O)N2CCO[C@H](C(F)(F)F)C2)cc1 71761472 MQSRKXVLGOXZPW-ZDUSSCGKSA-N 299.292 2.818 30 50 CFEA N#Cc1ccc(C(=O)Nc2ccc3scnc3c2)cn1 359447403 KAXIMUAWOHOPEN-UHFFFAOYSA-N 280.312 2.815 30 50 CFEA C=C1CC[C@H]([C@H](C)C(=O)O)[C@@H]2C=C(C(=O)OC)CC[C@@H]12 1077991918 QSWDROZZIFWYRS-SCUASFONSA-N 278.348 2.799 30 50 CFEA biogenic N#CCc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 16578451 BSMAPYLJSVYLBD-UHFFFAOYSA-N 286.356 2.695 30 50 CFEA C/N=C(/NCc1ccsc1)N(C)CC1CCC1 1616035860 HXYHZRSLNQNVDO-UHFFFAOYSA-N 251.399 2.555 30 50 CFEA Fc1ccc(/C=N/n2c(S)nnc2-c2cccnc2)cc1 1297629 VHSKHBZXKRRITD-CAOOACKPSA-N 299.334 2.650 30 50 CFEA COc1cc(C#N)ccc1OCC(=O)c1ccccc1 4825947 ZFZDEJOTVGATGN-UHFFFAOYSA-N 267.284 2.829 30 50 CFEA C=CCN(Cc1ccc(C)s1)Cc1ncnn1CC 63872157 ATZFCHJNBGCJNT-UHFFFAOYSA-N 276.409 2.856 30 50 CFEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@@H]4[C@@H]23)cc1 216406599 PWROZVJTPAXOPA-XLWJZTARSA-N 278.373 2.745 30 50 CFEA CSc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 217047860 YPODIIJXGHJKSH-UHFFFAOYSA-N 268.162 2.847 30 50 CFEA N#CCn1c(C(=O)N2CC[C@@H]3C[C@H]3C2)cc2ccccc21 598331180 PRMKXNCODACEQG-OCCSQVGLSA-N 279.343 2.647 30 50 CFEA CC1=CC(=NS(=O)(=O)c2ccc(C)cc2)C=C(C)C1=O 5061139 RXYMCAJJJVGOGQ-UHFFFAOYSA-N 289.356 2.600 30 50 CFEA CC1(C)OB(c2cc(Cl)c(N)c(Cl)c2)OC1(C)C 204854335 CKJITHMIVSKFSB-UHFFFAOYSA-N 287.983 2.875 30 50 CFEA C[C@@](O)(CNc1cccc(Br)c1C#N)C1CC1 310134311 LLTCSWPFILDLAE-CYBMUJFWSA-N 295.180 2.894 30 50 CFEA Cc1cc(C)n(/N=C/c2ccc(OC(F)F)cc2)c(=O)c1 2789985 BBDQIYZIAZYUJH-GIJQJNRQSA-N 292.285 2.949 30 50 CFEA CC(C)(C)c1ccc(O)c(B2OC(C)(C)C(C)(C)O2)c1 206116601 SBDUDEHNCNYTDM-UHFFFAOYSA-N 276.185 2.989 30 50 CFEA C=CCn1cc(C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)nn1 952887241 LKXMUFMTPLGSDQ-HNNXBMFYSA-N 296.374 2.687 30 50 CFEA CC1(C)OB(c2ccc(CN3CCCC3)cc2)OC1(C)C 169743720 AGSIDMRVRGPBIE-UHFFFAOYSA-N 287.212 2.582 30 50 CFEA in-vitro C=CCNS(=O)(=O)c1cc(Cl)c(Cl)cc1C 16624356 AFGRDMKFADOJEH-UHFFFAOYSA-N 280.176 2.766 30 50 CFEA N#C[C@@H](Sc1ncnc2[nH]cnc12)C1CCCCC1 118178202 ZQJGJNVZZVRNLX-SNVBAGLBSA-N 273.365 2.917 30 50 CFEA CCOc1cc(/C=N/NC2=NCCCCC2)ccc1O 509958 CGJQQAQNAZLKBO-GZTJUZNOSA-N 275.352 2.687 30 50 CFEA Cc1cc(O[C@@H](C)/C(O)=N/c2ncn[nH]2)ccc1Cl 4842926 HNJPWGPDQMHPAY-QMMMGPOBSA-N 280.715 2.822 30 50 CFEA C=CCN(CC=C)CCOc1ccc(C)cc1[N+](=O)[O-] 20272764 LWTRJGSSMDDCAK-UHFFFAOYSA-N 276.336 2.956 30 50 CFEA CN(C)C(=NCC#Cc1ccc(C(F)(F)F)cc1)N(C)C 252523113 BXCOOJSAUFQEIH-UHFFFAOYSA-N 297.324 2.536 30 50 CFEA C=CCNC(=O)NC(CC)(C(F)(F)F)C(F)(F)F 3189043 AAEVOCMVNPFGKJ-UHFFFAOYSA-N 278.196 2.745 30 50 CFEA biogenic CC1=CCCC/C1=N/NS(=O)(=O)c1ccc(C)cc1 43761713 ABGQGLZSIBGVED-PFONDFGASA-N 278.377 2.760 30 50 CFEA O=C(/C=C/c1ccccc1O)c1ccc(O)cc1O 4252709 MACMAADVRVVHBD-VMPITWQZSA-N 256.257 2.700 30 50 CFEA biogenic,in-vitro O=C(/N=C1\SCC(=O)N1c1ccccc1)c1ccco1 18030443 YKBLNGINJMGMTG-PFONDFGASA-N 286.312 2.556 30 50 CFEA N#C[C@H](C(=O)NCc1cccs1)c1ccccc1 618743 FISVQUBFFBQHRO-ZDUSSCGKSA-N 256.330 2.672 30 50 CFEA COc1ccc2ccc(=O)oc2c1C[C@@H]1OC1(C)C 2154253 LSZONYLDFHGRDP-LBPRGKRZSA-N 260.289 2.522 30 50 CFEA endogenous,in-man C#C[C@](O)(Cc1ccc(OC)cc1)c1ccc(OC)cc1 3091476 DTIKVCDPRYGIFI-SFHVURJKSA-N 282.339 2.767 30 50 CFEA CC/N=C(/O)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 328606575 SBMWCNGBCCYWPY-HOCLYGCPSA-N 299.374 2.985 30 50 CFEA CC[C@H](CC#N)NS(=O)(=O)c1ccc(Cl)cc1C 186438873 OMBVGPCZAQOYCA-LLVKDONJSA-N 286.784 2.619 30 50 CFEA N#Cc1cccnc1N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 219948780 GBHMSZOUDBGLJK-RDJZCZTQSA-N 296.418 2.654 30 50 CFEA CC[C@@H](CC#N)NC(=O)c1cc(NC)ccc1Cl 425249348 DIBHVOHJDZMNRX-VIFPVBQESA-N 265.744 2.804 30 50 CFEA C=CCn1c(S)nnc1-c1sc2ncccc2c1N 19894306 DLIGVGQPOSSEJK-UHFFFAOYSA-N 289.389 2.612 30 50 CFEA COc1ccc([C@@H]2O[C@@]23Cc2ccccc2C3=O)cc1OC 1572013 JCENLDBODYOIBO-ZWKOTPCHSA-N 296.322 2.953 30 50 CFEA CC(C)OC(=O)[C@@H](C#N)C(=O)C12CC3CC(CC(C3)C1)C2 4948203 BZAIBOFRCNPSFD-ZZTKBFGJSA-N 289.375 2.863 30 50 CFEA C=C[C@@H]1CCCCN1C(=O)Cc1ccccc1OC 225618632 KZHKOUSQZBFCNC-CQSZACIVSA-N 259.349 2.805 30 50 CFEA COc1ccc(/N=C(\C)CC(C)=O)cc1[N+](=O)[O-] 100287028 UFJIYOYOGVGSEX-MDWZMJQESA-N 250.254 2.675 30 50 CFEA C=CCc1ccccc1OCCN(C)Cc1nccn1C 55271052 SQKSVCKMXQVNJV-UHFFFAOYSA-N 285.391 2.659 30 50 CFEA OC[C@H](C1CC1)[C@@H](/N=C(/O)c1ccnc(Cl)c1)C1CC1 328598516 MKLXGCYNEGWZNQ-OCCSQVGLSA-N 294.782 2.837 30 50 CFEA CC/N=C(/O)c1conc1C(C)(C)/N=C(/O)OC(C)(C)C 328598099 KAUQMHSSOKAZMN-UHFFFAOYSA-N 297.355 2.963 30 50 CFEA N#Cc1cccc(CNc2ccc(Cl)cc2C(N)=O)c1 362729975 STKGQQHIDPRYEM-UHFFFAOYSA-N 285.734 2.923 30 50 CFEA O=C(/C=C\c1ccc2c(c1)OCO2)c1ccccn1 33387500 DCFJNYDTJPKYMC-XQRVVYSFSA-N 253.257 2.706 30 50 CFEA C=CCC[C@@]12[C@@H](CC[C@H]1C)CC(=O)[C@@H]2C(=O)OC 71786045 TWLPUDDLQJTRCQ-OICBVUGWSA-N 250.338 2.747 30 50 CFEA N#C[C@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(F)cc1 609044046 SIDQHSSIUHJXMS-FATJJJSSSA-N 270.307 2.719 30 50 CFEA C=CC[C@@]1(CO)CCCN(C(=O)C2(c3ccccc3)CC2)C1 91493896 NNWYTLSUIZEUNY-GOSISDBHSA-N 299.414 2.895 30 50 CFEA Cc1ccc(NC(=O)NCC23CCCN2CCC3)cc1C#N 299755892 ADQOSWURBCBYEM-UHFFFAOYSA-N 298.390 2.617 30 50 CFEA CC1(C)C=C(B2OC(C)(C)C(C)(C)O2)C(=O)CC1 169743591 MMYLPQABFZSMCP-UHFFFAOYSA-N 250.147 2.933 30 50 CFEA CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)CC#N)C1 818026172 GMHWEENPRHBWBA-ZDUSSCGKSA-N 296.374 2.676 30 50 CFEA C=CCN(CC=C)C(=O)Nc1ccc2nsnc2c1 205169 UTGVKPSABFFRGP-UHFFFAOYSA-N 274.349 2.897 30 50 CFEA N#Cc1ccc(CN2CC[C@H](c3ccccc3)[C@H](O)C2)cc1 2356169599 DRNTWNKLKFXWST-RTBURBONSA-N 292.382 2.909 30 50 CFEA CO/N=C/C(=N\Nc1ccccc1)C(=O)c1ccccc1 5320053 OYOVEXCMYICOKQ-XILPRMTJSA-N 281.315 2.970 30 50 CFEA OC(=Nc1cnc2c(c1)CCCC2)[C@H]1C[C@]12CCOC2 329671900 SHUGASPRPJRMFJ-CJNGLKHVSA-N 272.348 2.975 30 50 CFEA c1ccc(N=NC(=NNc2nnn[nH]2)c2ccccc2)cc1 252678026 CMGSWPMEQNAYSM-UHFFFAOYSA-N 292.306 2.757 30 50 CFEA N#Cc1cccc2cc(OC[C@@H]3C[N@]3CC3CC3)cnc12 1875379263 PBUINORBNMUYJO-YWZLYKJASA-N 279.343 2.579 30 50 CFEA C=C(C)C[C@@H](C)C(=O)Nc1ccc(F)c(C#N)c1N 585128494 CNATYFZJJUARFG-SECBINFHSA-N 261.300 2.820 30 50 CFEA CCc1c(OC[C@H]2CO2)cc(C)c(OC(C)=O)c1C 5667042 YAVBSFDMKUKODR-GFCCVEGCSA-N 264.321 2.569 30 50 CFEA N#CC(C#N)CC(=O)c1ccc(Br)cc1 11887966 DJIYFSBMBTYKTJ-UHFFFAOYSA-N 263.094 2.685 30 50 CFEA CC1(C)OB(c2cc3nccnc3cc2Cl)OC1(C)C 201190793 USJOQJLBLDFJHH-UHFFFAOYSA-N 290.559 2.582 30 50 CFEA C[C@@H](O)[C@@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C1 129389511 RGMKNGLVPQIWGW-MWLCHTKSSA-N 284.281 2.784 30 50 CFEA N#Cc1ccccc1CN1CCO[C@H]2CCCC[C@H]21 230251116 SXQXYOWYQDTBAX-CVEARBPZSA-N 256.349 2.702 30 50 CFEA COc1ccc(C)cc1NC(=O)ON1CCCCC1 397723 ZORWPQRSSWRTAD-UHFFFAOYSA-N 264.325 2.953 30 50 CFEA C[C@]12C[C@@H](O)[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CCC2=O 71772592 VDCOSJPGDDQNJH-IRZXKLMXSA-N 288.387 2.668 30 50 CFEA COC(=O)CCC(F)(F)C(F)(F)C(F)(F)F 72265749 OUGVLAVHRNOQEV-UHFFFAOYSA-N 256.117 2.773 30 50 CFEA C(=N/N1CCN(c2ccccc2)CC1)\c1cccs1 230023 ITCIBPUXUFQHKN-DTQAZKPQSA-N 271.389 2.904 30 50 CFEA CCC(CC)(CO)CN(C)c1nc(C)c(C)cc1C#N 1529159190 QIRAUZTZXYYKEN-UHFFFAOYSA-N 275.396 2.805 30 50 CFEA CCCCNC1(C#N)CCN(Cc2ccccc2)CC1 1698826 UUBVCUBWRBXOGL-UHFFFAOYSA-N 271.408 2.934 30 50 CFEA O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O 3869608 DXDRHHKMWQZJHT-FPYGCLRLSA-N 256.257 2.700 30 50 CFEA endogenous,world C=CCc1cc(Cl)ccc1OCCN1CCN(C)CC1 20118546 CYKMJNYQFZGICI-UHFFFAOYSA-N 294.826 2.695 30 50 CFEA N#Cc1c(O)nc(-c2ccccn2)nc1-c1ccccc1 4002681 HVMPDLXOJHIWFW-UHFFFAOYSA-N 274.283 2.783 30 50 CFEA CC(C)Oc1cncc(/C(O)=N/[C@@]2(C)CCCOC2)c1 330626701 JHMGANXBBWUJOG-HNNXBMFYSA-N 278.352 2.743 30 50 CFEA COc1ccccc1[C@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 181278876 BSXIJYAOLOFNFH-OAHLLOKOSA-N 295.342 2.872 30 50 CFEA CC1(C)CC(=O)C(=CNc2ccc3[nH]ncc3c2)C(=O)C1 100444985 OIZJUKLFKUNBOJ-UHFFFAOYSA-N 283.331 2.817 30 50 CFEA CCN(CC)CCn1ccnc1-c1cccc(C#N)c1 67879589 JMKRSVSLVFFKCC-UHFFFAOYSA-N 268.364 2.764 30 50 CFEA Cc1nc(-c2ccccn2)sc1C(=O)/C=C/N(C)C 221537543 CAWNKLYLHJIFHH-VQHVLOKHSA-N 273.361 2.772 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1CC1CCCCC1 299768451 ORFWYHYXHBFAIW-OAHLLOKOSA-N 264.413 2.723 30 50 CFEA CC(C)(C)OC(=O)NOC(=O)c1ccc(Cl)cc1 141336183 DUOODNSAINMUAQ-UHFFFAOYSA-N 271.700 2.937 30 50 CFEA in-vitro C=CCC(=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 14977018 UTRSIDASUSELCU-QGZVFWFLSA-N 291.366 2.545 30 50 CFEA Cc1cc(F)cc2c1CN(c1ccc(C#N)cn1)CC2 253394839 FGANEEYDNHIBFG-UHFFFAOYSA-N 267.307 2.964 30 50 CFEA Cc1cc(C#N)nc(N2CC[C@@H]2c2ccccc2F)n1 376462852 QKDZNWCILRRDQE-CQSZACIVSA-N 268.295 2.747 30 50 CFEA Cc1cc[n+](CC(=O)N(c2ccccc2)C(C)C)cc1 1957708 TWKABRRPBCSFCW-UHFFFAOYSA-N 269.368 2.724 30 50 CFEA C=CCn1c(Cc2nc3ccccc3[nH]2)n[nH]c1=S 2480330 RPGMYBQMVSVJFS-UHFFFAOYSA-N 271.349 2.594 30 50 CFEA O=[N+]([O-])c1ccc(N/N=C/c2ccc([N+](=O)[O-])o2)cc1 3956679 SHXJVWKWHUUTFC-KPKJPENVSA-N 276.208 2.542 30 50 CFEA C=CCC(=O)N1CCO[C@H](CC2CCCCC2)C1 65396003 LRWAFQHHAHSFMV-CQSZACIVSA-N 251.370 2.760 30 50 CFEA CCNC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 122057739 HJSNNVGIEJOZTE-LLVKDONJSA-N 271.345 2.553 30 50 CFEA CC[C@@H](CC#N)NC(=O)c1cccc([C@H]2CCCN(C)C2)c1 585089454 NUIWMEJLVVSWCM-IRXDYDNUSA-N 299.418 2.918 30 50 CFEA C#CCOc1ccc(Cl)cc1C(=O)Nc1cc(C)on1 5793343 SEFQOZIUUWUPHP-UHFFFAOYSA-N 290.706 2.901 30 50 CFEA C/C(=N\N1CCN(Cc2ccccc2)CC1)c1ccco1 19771376 RUEZBTOCQSOPAR-OBGWFSINSA-N 283.375 2.821 30 50 CFEA C=C(C)CCNC(=O)[C@@H]1CC(c2ccccc2C)=NO1 908929017 KTLRDBZFGLNIQJ-HNNXBMFYSA-N 272.348 2.570 30 50 CFEA Cc1ccc(C#N)c(N(C)Cc2cnc(C)s2)n1 179761014 XGHBECVACBWMRH-UHFFFAOYSA-N 258.350 2.663 30 50 CFEA C=CC[C@]1(CO)CCCN(C(=O)c2cncc(Cl)c2)C1 92028283 QCUCKHKBNCSSFG-HNNXBMFYSA-N 294.782 2.526 30 50 CFEA Cc1cc(N(C)C)n2c(nc3ccccc32)c1C#N 347758 WLOQNTWXJYBFCD-UHFFFAOYSA-N 250.305 2.734 30 50 CFEA O=C(O)CCC(=O)Nc1ccccc1C#Cc1ccccc1 753147 GPPZDNIUTZPCHK-UHFFFAOYSA-N 293.322 2.890 30 50 CFEA CCCC[C@H]1C=CCN1C(=O)c1ccc(C#N)nc1 1505666765 NDTBNXRKRROAAX-AWEZNQCLSA-N 255.321 2.524 30 50 CFEA N/C(=N/CCc1cccnc1)Nc1ccc2c(c1)CCC2 252550197 SFWODCONORNOEQ-UHFFFAOYSA-N 280.375 2.540 30 50 CFEA CC/N=C(/O)[C@H](CN1CCCCC1)/N=C(/O)OC(C)(C)C 328592620 PSZKDASRLPDTSK-LBPRGKRZSA-N 299.415 2.546 30 50 CFEA Cc1cccc(/N=C/c2c(C)[nH]n(-c3ccccc3)c2=O)n1 409415388 DVGZPVDSBQDVSO-WOJGMQOQSA-N 292.342 2.928 30 50 CFEA COc1ccccc1OCCCc1cccc(C#N)n1 91526924 QEGOODMFXNUKKU-UHFFFAOYSA-N 268.316 2.973 30 50 CFEA C=CCNc1nnc(S[C@H]2CCCC[C@H]2O)s1 169924078 HDEDYCYYTSQODJ-BDAKNGLRSA-N 271.411 2.532 30 50 CFEA CC#CC(=O)N[C@H]1C[C@@H]1Cc1ccc(C(F)(F)F)cc1 408515924 QNSWBXJITLWTGQ-AAEUAGOBSA-N 281.277 2.776 30 50 CFEA C[C@H](NCc1cccc(CO)c1)c1ccc(C#N)cc1 224628449 UCFCNRRDGUMVOR-ZDUSSCGKSA-N 266.344 2.901 30 50 CFEA CC[C@@H]1CN(c2nc3ncccc3cc2C#N)CCCO1 596220506 PBAYCCGCWFKJQU-CQSZACIVSA-N 282.347 2.507 30 50 CFEA CC(=O)O[C@H](C#CCN1CCCCC1)c1ccccc1 208193 XLAGGAYJSNRXAW-QGZVFWFLSA-N 271.360 2.780 30 50 CFEA O=S(=O)(NN=C1CCCCCC1)c1ccccc1 452812 PRPVSAZLTZROPD-UHFFFAOYSA-N 266.366 2.675 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)CC1(O)CCCC1 328614355 VTUOFGFKSZFGNW-TZMCWYRMSA-N 269.385 2.699 30 50 CFEA CCCC1(CO)CCN(Cc2cc(C#N)c(C)[nH]2)CC1 584898310 JXSQLVOLGBCEKQ-UHFFFAOYSA-N 275.396 2.569 30 50 CFEA Cc1ccnc(N(C)[C@H]2CCO[C@@H]2c2cccnc2)c1C#N 580103654 MHNZEMUXYOJUDU-JKSUJKDBSA-N 294.358 2.623 30 50 CFEA Fc1cccc(/C=N/N2CCN(c3ccccc3)CC2)c1 232126 ALGKFOBYTUHLEZ-XMHGGMMESA-N 283.350 2.982 30 50 CFEA CC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)OC(C)C 3163702 KSZOTXZFYCRWQK-MDWZMJQESA-N 277.276 2.519 30 50 CFEA in-vitro c1ccc(Oc2ccc(B3OCCCO3)cc2)cc1 1875251727 DDCDBHNDJPVZTQ-UHFFFAOYSA-N 254.094 2.611 30 50 CFEA C#Cc1ccc(Nc2cc(C)nc3ncnn23)cc1Cl 2325872453 YMMGXKUTOUSZPC-UHFFFAOYSA-N 283.722 2.811 30 50 CFEA Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1 426281 GVFCSNMGSRACHX-UHFFFAOYSA-N 273.317 2.657 30 50 CFEA C=CCn1c(CCNC(=O)c2ccco2)nc2ccccc21 4386800 JAKNINHZQSWBGY-UHFFFAOYSA-N 295.342 2.788 30 50 CFEA CCCNCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 170007431 LVCNDGOYAGMVOT-UHFFFAOYSA-N 293.191 2.625 30 50 CFEA N#Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@H](C2)C1 221252159 RBOOBAIFQQDSQM-CHWSQXEVSA-N 254.333 2.820 30 50 CFEA Cc1cc(C)c(C#N)c(N(C)Cc2nc(CC(C)C)no2)n1 826758578 FUAUQTOYNXEVHL-UHFFFAOYSA-N 299.378 2.788 30 50 CFEA CC(=O)C1=Cc2cc(Br)cc(F)c2OC1 675082189 WAFWHRYKQMHMNO-UHFFFAOYSA-N 271.085 2.953 30 50 CFEA C=CC[C@@H]1CCC[C@@H]1NC(=O)c1coc(/C=C/C(=O)O)c1 1875270591 AVWJHZITLRIWOA-IQZILYQHSA-N 289.331 2.852 30 50 CFEA Cc1nn(C)c(Cl)c1/C=C/C(=O)OC1(CC#N)CCC1 225858019 AVPZUKVRUYSSAO-SNAWJCMRSA-N 293.754 2.775 30 50 CFEA COc1nccc(Oc2ccc(CN(C)C)cc2)c1C#N 67867181 RSAJLFKZOCSCPV-UHFFFAOYSA-N 283.331 2.816 30 50 CFEA CCOc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1N 170003764 UKYDHPBZKGDSHX-UHFFFAOYSA-N 297.591 2.620 30 50 CFEA N#Cc1cccc(NC(=O)Cc2c[nH]c3ncccc23)c1 154608300 AQYNFRUZURVMML-UHFFFAOYSA-N 276.299 2.616 30 50 CFEA OC[C@H](CC1CCCC1)/N=C(/O)[C@H]1CCCN1C1CC1 328706791 ZFZPIPJGUAIODU-DZGCQCFKSA-N 280.412 2.511 30 50 CFEA CCOC(=O)c1cc(Br)cc(C#N)c1F 263623648 JHNXDBUGJOPFRQ-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA CC1(C)OB(c2ccc([C@]3(C)CCO3)cc2)OC1(C)C 950757196 GHUNZFXXDLLRNO-INIZCTEOSA-N 274.169 2.621 30 50 CFEA COc1ccc2c(c1)C(=O)C(=Cc1cccnc1)O2 1857527299 ZNKATZNTNCMKTQ-UHFFFAOYSA-N 253.257 2.706 30 50 CFEA O=C(/C=C1\NCCS1)c1ccc(Br)cc1 252510160 ZCQWMJUXQLQYOT-YRNVUSSQSA-N 284.178 2.810 30 50 CFEA C=CCc1ccccc1OCCCN1CCOCC1 20117883 QHDIEPICPHGTDG-UHFFFAOYSA-N 261.365 2.516 30 50 CFEA N#Cc1nccnc1NC1[C@H]2CC[C@H]1Cc1ccccc1C2 329215041 MBWKVHDEQQQLKP-GJZGRUSLSA-N 290.370 2.954 30 50 CFEA CC1(C)CC[C@H](CN2CCC(C#N)(c3ccccn3)CC2)O1 369216838 YDFKAFFTYCYKMD-OAHLLOKOSA-N 299.418 2.896 30 50 CFEA N#Cc1ccc(NCC2CCN(c3ccncc3)CC2)nc1 180042339 DQPVQOJFCKSVOK-UHFFFAOYSA-N 293.374 2.677 30 50 CFEA N#C[C@H]1CCCN1C(=O)CCc1cccc(Cl)c1 1875370253 HYHDFTZULGOMDB-CYBMUJFWSA-N 262.740 2.787 30 50 CFEA C=CC[C@@H](C(=O)N[C@H]1CCn2nccc2C1)c1ccccc1 1615606446 YLWYNBUGMHFPAD-DOTOQJQBSA-N 295.386 2.674 30 50 CFEA O=C(/C=C\Nc1ccc2c(c1)OCO2)c1ccccn1 13131031 ZXSKFWGDTVMHSO-VURMDHGXSA-N 268.272 2.619 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1Cc2ccccc2NC(=O)[C@@H]1C 585122465 KZRQCIBSIDIUCT-STQMWFEESA-N 286.375 2.958 30 50 CFEA C#CC(C)(C)N1CC[C@](O)(c2ccccc2)[C@@H](C)C1 33285551 VLPZXHXIPQDJKJ-WMLDXEAASA-N 257.377 2.628 30 50 CFEA N#CCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 269645 CDCQOOAHQHOJKN-UHFFFAOYSA-N 295.298 2.842 30 50 CFEA CC(C)C[C@]1(C)CCCN1S(=O)(=O)c1ccc(C#N)o1 295666994 GUNIVEBSPOLDPB-AWEZNQCLSA-N 296.392 2.741 30 50 CFEA Cc1nc(N2CC[C@@H](c3ccon3)C2)c(Cl)cc1C#N 1775989206 GZGDBFGQFGOXJT-SNVBAGLBSA-N 288.738 2.897 30 50 CFEA C=CC[C@H]1CCCN(C(=O)c2ccc(C(=O)O)cc2)C1 659170373 VGHVEXGZIHIOTI-LBPRGKRZSA-N 273.332 2.813 30 50 CFEA C#CCOC(=O)CSc1nc2ccccc2s1 2474143 KMJYAPWSJKWQSP-UHFFFAOYSA-N 263.343 2.565 30 50 CFEA C=CCN1C(=O)N[C@H]2C[C@@]1(C)Oc1c(F)cc(F)cc12 1615613451 XJCWPAAMZQHJPA-SMDDNHRTSA-N 280.274 2.716 30 50 CFEA Cc1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1C 1075122 UEBBBWJLXQKDMZ-UHFFFAOYSA-N 295.294 2.671 30 50 CFEA FC(F)OC(F)(F)C(F)(F)OC(F)(F)F 113582937 XSVNBEJYJNCBDJ-UHFFFAOYSA-N 252.032 2.948 30 50 CFEA C=C(C)CNCc1ccc(O[C@@]23CCCN(CC2)C3)cc1 67713673 ZCMRCRHELWAPMY-SFHVURJKSA-N 286.419 2.969 30 50 CFEA CN(C)C(=O)c1ccccc1CC/N=C(/O)OC(C)(C)C 328600183 WLZUIBGLQYEOLL-UHFFFAOYSA-N 292.379 2.660 30 50 CFEA OCC1(/N=C(/O)C[C@@H]2C[C@H]2c2ccccc2)CCOCC1 329111192 QTVOZHGNHTVUCZ-GJZGRUSLSA-N 289.375 2.678 30 50 CFEA C[C@@H](C#N)CNC[C@H]1CCCCN1C(=O)OC(C)(C)C 235475021 VWDJVKAVRGYWSR-QWHCGFSZSA-N 281.400 2.525 30 50 CFEA CN=C(NCc1ccccc1)NCc1ccccc1 303464424 CQQYCACBDLWKJY-UHFFFAOYSA-N 253.349 2.552 30 50 CFEA C=CCN1C(=O)/C(=C\c2ccccc2)C(C(=O)OC)=C1C 112804 CVPMGGVCDUTPGM-KAMYIIQDSA-N 283.327 2.545 30 50 CFEA CCCn1c[n+](CC(=O)C(C)(C)C)c2ccccc21 3174933 OQLBBRDJZGPULG-UHFFFAOYSA-N 259.373 2.954 30 50 CFEA C=C[C@@H](CC(=O)N(OC)[C@H](C)CC(=O)O)c1ccccc1 1602813306 VKLHCVZKZOEJKN-OLZOCXBDSA-N 291.347 2.600 30 50 CFEA CC1=C/C(=N\OC(=O)c2ccc(Cl)cc2)C=CC1=O 12377457 ISFLVIGLQXTTLM-VBKFSLOCSA-N 275.691 2.938 30 50 CFEA CC1(C)OB(c2ccc(C(=O)O)c3ccccc23)OC1(C)C 169746581 NMXHQGWOOPQLBS-UHFFFAOYSA-N 298.147 2.837 30 50 CFEA COC(=O)c1sccc1NC(=O)C#Cc1ccccc1 6698698 YRMGBFYELPWSCX-UHFFFAOYSA-N 285.324 2.525 30 50 CFEA Oc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1F 1848350205 RBTMELIPUZRYTM-UHFFFAOYSA-N 278.123 2.844 30 50 CFEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)CCN1CCCCO1 55099334 UDSSBWPGKOBNTL-HUUCEWRRSA-N 278.396 2.526 30 50 CFEA C=CCN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 20160972 FAGUWVACQSULSW-UHFFFAOYSA-N 299.201 2.937 30 50 CFEA C=CCc1cc(CNCc2ncc[nH]2)ccc1OCC 65532507 WILLHRDGRSUXNF-UHFFFAOYSA-N 271.364 2.827 30 50 CFEA Cc1c(CNC[C@H]2CCO[C@@H]2C(C)(C)C)cc(C#N)n1C 328633676 STPDZOOTYKJOJW-CJNGLKHVSA-N 289.423 2.746 30 50 CFEA CC(C)(C)[C@@](C)(O)C#CC#C[C@](C)(O)C(C)(C)C 2492444 XMWWMDJAIAFYHT-HOTGVXAUSA-N 250.382 2.587 30 50 CFEA CC(=O)c1ccc(C(=O)O[C@H]2CCC[C@@H]2C#N)cc1 408518798 BDYURISGVXGKLL-KGLIPLIRSA-N 257.289 2.738 30 50 CFEA N#Cc1ccc(NCc2nncn2C2CCCCC2)nc1 1506416613 KJTUYZAQYYAPNO-UHFFFAOYSA-N 282.351 2.662 30 50 CFEA N#Cc1ccc(C(=O)NC[C@H]2CC23CCCCC3)cn1 584884254 HNQYNUMXSRDPJP-CYBMUJFWSA-N 269.348 2.653 30 50 CFEA C=CCNc1nc(Cl)nc(NC2CCCCC2)n1 2485761 UUQJMPPVOGGWIY-UHFFFAOYSA-N 267.764 2.868 30 50 CFEA Fc1ccc(/C=N/Nc2ncc(Br)cn2)cc1 4947042 NINGGGKFFYPATB-FZSIALSZSA-N 295.115 2.824 30 50 CFEA COc1c(C)cc(B2OC(C)(C)C(C)(C)O2)cc1C 170008133 AFYXRCPGXSIVCW-UHFFFAOYSA-N 262.158 2.611 30 50 CFEA N#Cc1ccc([N+](=O)[O-])c(N2CCC(c3cnc[nH]3)CC2)c1 364922667 IDDSFILTUJETEE-UHFFFAOYSA-N 297.318 2.574 30 50 CFEA N#CCSCC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 241701779 QLAGZCDLQPMFKF-OCCSQVGLSA-N 292.379 2.835 30 50 CFEA Oc1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1 244866560 VYJJTZBKMFTTEX-UHFFFAOYSA-N 295.386 2.544 30 50 CFEA CC(C)(C)c1ncc(/C=C/C(=O)c2ccnc(O)c2)cn1 585135813 DBUCDZAVKIFGQH-SNAWJCMRSA-N 283.331 2.771 30 50 CFEA Cc1[nH]c(CN2CCCC3(CCOCC3)C2)cc1C#N 584900641 UOGNFJCKKAUMOM-UHFFFAOYSA-N 273.380 2.587 30 50 CFEA C#CCCC1(CCC(=O)N2CCOC3(CCCC3)C2)N=N1 952882655 NVEGUBMCOCFEGR-UHFFFAOYSA-N 289.379 2.514 30 50 CFEA C#CCCC1(CCC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)N=N1 952882523 UZJBIRXQURDHKT-USXIJHARSA-N 293.370 2.797 30 50 CFEA CN1CCCC[C@@H]1CCC(=O)Nc1ccc(CC#N)cc1 170614537 PAWGYRRUAAAZJT-MRXNPFEDSA-N 285.391 2.956 30 50 CFEA C=CCN(CC=C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 461303 YTGPZIOYLORXJG-JXMROGBWSA-N 272.304 2.809 30 50 CFEA C=C(COc1cc(C(C)(C)C)ccc1C=O)C(=O)O 2325900202 OUVJVRGXNIJDAF-UHFFFAOYSA-N 262.305 2.816 30 50 CFEA Cc1nc(-c2cc(C#N)cn2C)n(-c2ccc(F)c(F)c2)n1 96164450 FWDIBPUBWJYYEX-UHFFFAOYSA-N 299.284 2.731 30 50 CFEA Cc1ncsc1CCC(=O)N1CCCC(C)(C)[C@@H]1C#N 299003086 QIWQRBPHVSBYJY-ZDUSSCGKSA-N 291.420 2.925 30 50 CFEA N#Cc1ccccc1OCCCO[C@@H]1CCCCO1 170595578 ROJNWOOOACBJCY-OAHLLOKOSA-N 261.321 2.870 30 50 CFEA C[C@H]1C/C(=N\Oc2ccccc2[N+](=O)[O-])[C@H](C)CN1C 13556424 UQBBTDSGUQJIBT-KSWSDUOESA-N 277.324 2.690 30 50 CFEA Cc1[nH]nc(NCc2ccc3c(c2)C[C@@H](C)O3)c1C#N 922171471 LRJYSXQRZVPKKY-SECBINFHSA-N 268.320 2.525 30 50 CFEA N#C[C@@H]1CCCN(C(=O)CCc2cccc(F)c2)C1 222913313 HWGPBEQLDAATTP-ZDUSSCGKSA-N 260.312 2.520 30 50 CFEA O=C1C=CC(=NC2=C(Cl)C(=O)c3ccccc3C2=O)C=C1 1592758 LKSMWJJUEZEJGX-UHFFFAOYSA-N 297.697 2.652 30 50 CFEA C=CCN(Cc1cccs1)C(=O)CCC(C)=O 225495783 RJELSDVZMYTVRJ-UHFFFAOYSA-N 251.351 2.632 30 50 CFEA N#Cc1ccccc1/C=C/C(=O)N1CCCO[C@@H]2CCC[C@H]21 369458414 PGYIFTUNHJCKJL-VEUZHWNKSA-N 296.370 2.741 30 50 CFEA CC(C)Oc1ccc([C@@H](O)CNc2ccc(C#N)nc2)cc1 239475372 ANUPPAKLRCDBQG-KRWDZBQOSA-N 297.358 2.886 30 50 CFEA CC1(C)CCCN(C(=O)c2cnc(C3CC3)nc2)[C@H]1C#N 296671229 KTSAPPKPKBWFGF-ZDUSSCGKSA-N 284.363 2.508 30 50 CFEA CCOC(=O)c1c(F)cc(C#N)cc1Br 263623631 JENPVMGMPWVHJD-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA C=CCCC(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 14976571 PSQPWTNZZYIGNK-OAHLLOKOSA-N 290.382 2.873 30 50 CFEA C#CCCC1(CCOc2cc(OC)ccc2[N+](=O)[O-])N=N1 2325891621 QWZMLKNCZAVLTH-UHFFFAOYSA-N 289.291 2.948 30 50 CFEA N#Cc1nc(-c2ccccc2F)oc1N1CCCC1 467605 YDCFUQGYWYZIJT-UHFFFAOYSA-N 257.268 2.953 30 50 CFEA COc1cc(C=O)ccc1OCc1ccccc1C#N 4589216 CCYUZGIJWLMYNR-UHFFFAOYSA-N 267.284 2.958 30 50 CFEA COc1cc(OC)cc([C@@H](O)CNc2ccc(C#N)cc2)c1 118384415 DMUNLYKQXOWVSB-KRWDZBQOSA-N 298.342 2.721 30 50 CFEA CCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO 64858886 KWQIYZIHZCLRSR-AMXOMPAFSA-N 257.418 2.754 30 50 CFEA in-vitro N#Cc1cnn2c(-c3ccc(OC(F)F)cc3)ccnc12 2788793 VZEPSPNCFZATLE-UHFFFAOYSA-N 286.241 2.869 30 50 CFEA CCn1cc(CN(C)Cc2noc(C(C)C)n2)cc1C#N 77505205 UVFGAVBCLIHMPJ-UHFFFAOYSA-N 287.367 2.518 30 50 CFEA N#Cc1cc(Cl)cc(I)c1 2567843 MOXWXOASLNWUAJ-UHFFFAOYSA-N 263.465 2.816 30 50 CFEA in-vitro N#Cc1ccnc(COC(=O)c2cccc3ncccc23)c1 2325854848 YEEQUIPOPMMFRH-UHFFFAOYSA-N 289.294 2.858 30 50 CFEA COCCNc1oc(-c2cccc(Cl)c2)nc1C#N 2865642 CWOVYSAMOXDFAA-UHFFFAOYSA-N 277.711 2.925 30 50 CFEA Cc1ccc(B2OCC(C)(C)CO2)c2ccccc12 307438143 VQGCSABEVHTBQH-UHFFFAOYSA-N 254.138 2.916 30 50 CFEA N#Cc1ccc2[nH]c(-c3ccc(C(=O)O)cc3)nc2c1 33559259 VPPPUXXDHZUJRJ-UHFFFAOYSA-N 263.256 2.800 30 50 CFEA CC#CC(=O)N(CCc1ccccn1)[C@H]1CCC[C@H]1C 1875369739 DQHHYYLXRQIGFV-ZBFHGGJFSA-N 270.376 2.665 30 50 CFEA CS(=O)(=O)O[C@@H](CC(F)(F)F)c1ccccc1 1535646103 VTTHMIZQXDKHFA-VIFPVBQESA-N 268.256 2.656 30 50 CFEA CCO[C@@H]1C[C@H](Nc2ccc(C#N)cc2)[C@]12CCCO2 273457937 FWVZINCSHVRPBG-ARFHVFGLSA-N 272.348 2.697 30 50 CFEA Cc1nsc(N2CC[C@@H](c3ccncc3)C2)c1C#N 599101171 MFPWBORCYKVFTF-GFCCVEGCSA-N 270.361 2.712 30 50 CFEA CCO[C@H](C)c1ccc(-c2ncc(C#N)c(N)n2)cc1 1506417666 KMRFLAKWPZWULF-SNVBAGLBSA-N 268.320 2.695 30 50 CFEA Cc1noc([C@@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)n1 332219458 VJMFXDGBCYADST-IAQYHMDHSA-N 282.347 2.800 30 50 CFEA C/N=C(/S)Nc1ccc(OC(F)(F)F)cc1 13519870 BJIFQQLWLXLPHM-UHFFFAOYSA-N 250.245 2.913 30 50 CFEA N#C[C@H]1CCCN(C(=O)NCCCc2ccccc2)C1 426465231 QLNBTNHXIWPXGH-OAHLLOKOSA-N 271.364 2.564 30 50 CFEA CC1(C)OB(c2ccc(O)c3ccccc23)OC1(C)C 170015194 PWFWFPILWWBDTG-UHFFFAOYSA-N 270.137 2.845 30 50 CFEA Cc1nsc(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1C#N 286660079 YGLSOUNNWFOGNC-RYUDHWBXSA-N 279.409 2.557 30 50 CFEA C=CCN1C(=O)CC[C@@H]1CCNCc1cccc(C)c1 14957257 XWZRUXOOMDCWGF-MRXNPFEDSA-N 272.392 2.652 30 50 CFEA N#CCC(=O)N1CCC(c2ccnc3ccccc23)CC1 408522035 CBBRIIIOKYQNKS-UHFFFAOYSA-N 279.343 2.854 30 50 CFEA Cc1ccc2c(c1)CC[C@H](/C(O)=N/Cc1cnc[nH]1)O2 330021643 YDZVRVVDXWRNPW-CQSZACIVSA-N 271.320 2.568 30 50 CFEA C=C(C)CCNC(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1 1273381217 DWANWFXFJQBDEZ-MRXNPFEDSA-N 286.375 2.879 30 50 CFEA CSC1CCC(CN=C2NC[C@@H]3CC[C@@H](C)CN23)CC1 2325863245 BIYKKPJOPIRKDK-JLVJUDLZSA-N 295.496 2.968 30 50 CFEA COc1ccc(CNC(=O)c2ccc(C#N)cc2F)cc1 4850867 WIIXFBXHMSELMS-UHFFFAOYSA-N 284.290 2.636 30 50 CFEA C/C(=N\Nc1nc(C)cc(C)n1)c1cccc(O)c1 4996987 HVBSCJVOSLOQAO-GZTJUZNOSA-N 256.309 2.635 30 50 CFEA C=CCn1cc(CN(C)CCN2CCCC[C@@H]2C)c(C)n1 55060606 LBGQTCSVEPUDCD-HNNXBMFYSA-N 290.455 2.684 30 50 CFEA COC[C@H](C)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 330931920 WELYXLBKWAQNHD-CWRNSKLLSA-N 286.375 2.567 30 50 CFEA CN(Cc1cccc(C#N)c1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1704347317 AOOOZTRASKNDDF-WNKDZCFJSA-N 270.376 2.540 30 50 CFEA Cc1cc(C)c[n+](CC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 1955982 NDEIHLQHVDDFJN-UHFFFAOYSA-N 285.323 2.690 30 50 CFEA CCCCCCCCCCNC(=O)/C=C/C(=O)O 1959030 PSNAHWRZQOSIQE-ZHACJKMWSA-N 255.358 2.884 30 50 CFEA C=CCNC(=O)c1cc(Cl)c(OC)c(Cl)c1 2951768 FKIBEBYSZCRFCE-UHFFFAOYSA-N 260.120 2.918 30 50 CFEA C/C(=N\Nc1cc(Cl)nc(C)n1)c1ccc(O)cc1 4595583 DLKLFNSANYFAAP-CAOOACKPSA-N 276.727 2.980 30 50 CFEA C/C(=N\Nc1nc(C(=O)O)cs1)c1ccccc1 4713567 LJXINQVACWICIW-RIYZIHGNSA-N 261.306 2.677 30 50 CFEA COc1ccc(Cn2c(N)c(C#N)c3c2CCCC3)cc1 169549 HMITZZIOYJRWFM-UHFFFAOYSA-N 281.359 2.878 30 50 CFEA in-vitro N#Cc1c(N)nc(Cl)c(C#N)c1-c1ccccc1[N+](=O)[O-] 253470964 IZUDZGQDLFCCJM-UHFFFAOYSA-N 299.677 2.636 30 50 CFEA O=S(=O)(/N=C(\O)c1ccccc1F)c1ccccc1 2709242 ABCBGTPDCCYPKV-UHFFFAOYSA-N 279.292 2.519 30 50 CFEA Cc1cnn(-c2cc(N/N=C/c3cccc(F)c3)ncn2)c1 4595729 VWLPOCUOHYVJMV-UFWORHAWSA-N 296.309 2.556 30 50 CFEA C=CC[C@@H](CO)Nc1ccc(C(F)(F)F)cc1C#N 273308381 MYNAHWCEJXAQGA-NSHDSACASA-N 270.254 2.926 30 50 CFEA CC(C)(C)OC(=O)N1CCC2(CC[C@H]2C=O)CC1 2325903878 RWIZXBRTVLKGBT-NSHDSACASA-N 253.342 2.613 30 50 CFEA CC(C)OC1=C(Cl)C(=O)c2ccccc2C1=O 161649 QKRFTDNUEHPOJG-UHFFFAOYSA-N 250.681 2.941 30 50 CFEA CCCCCCCCCCCCS(=O)(=O)NN 2160189 WEAACMWSSHPTJR-UHFFFAOYSA-N 264.435 2.700 30 50 CFEA C=CCNC(=O)c1ccccc1NC(=O)c1cccs1 4487970 IXRHKQICTVIIPB-UHFFFAOYSA-N 286.356 2.916 30 50 CFEA CC(C)(N)CNc1ccc(C#N)cc1C(F)(F)F 261575518 NDOANIKOLUDPCH-UHFFFAOYSA-N 257.259 2.726 30 50 CFEA N#Cc1c(-c2ccccc2)cc(C[C@H]2CCOC2)nc1N 952993180 QJHDGGZXCJLSRE-GFCCVEGCSA-N 279.343 2.781 30 50 CFEA CC(=O)N[C@@H](c1ccc(F)cc1)c1ccc(C#N)cc1 85477099 HBDSWDUDNYFTMJ-MRXNPFEDSA-N 268.291 2.923 30 50 CFEA in-vitro COCOc1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 169936453 HRXBMVFRAMKBPL-UHFFFAOYSA-N 298.575 2.622 30 50 CFEA in-vitro N#Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nc2ccccc12 333911547 XIZZQGFTKXPNPG-KYOSRNDESA-N 293.326 2.612 30 50 CFEA CCOC(=O)C/C(C)=N/NC(=S)Nc1ccc(C)cc1 4964124 JRBGUMHRAPZRIT-LFIBNONCSA-N 293.392 2.611 30 50 CFEA C=C[C@@H]1CCCCN1C(=O)c1cnc2onc(C)c2c1 225618698 IBRWFHDOBYGSCR-GFCCVEGCSA-N 271.320 2.712 30 50 CFEA Cc1noc(C)c1CO[C@H]1CCN(/C(O)=N/C(C)(C)C)C1 328587358 GWODZDYBDINWCR-LBPRGKRZSA-N 295.383 2.595 30 50 CFEA Cc1c(B2OC(C)(C)C(C)(C)O2)cc(Cl)cc1[N+](=O)[O-] 170008634 DTVZLIQBKIVYAG-UHFFFAOYSA-N 297.547 2.856 30 50 CFEA CC(C)C[C@@]1(C)CCCN1S(=O)(=O)c1ccc(C#N)o1 295666999 GUNIVEBSPOLDPB-CQSZACIVSA-N 296.392 2.741 30 50 CFEA CN(Cc1ccccc1C#N)C[C@H]1CCN(C)C1(C)C 826792167 RGPCWDROMDIXDW-MRXNPFEDSA-N 271.408 2.720 30 50 CFEA CC1(C)OB(c2cc(Cl)nc(Cl)c2)OC1(C)C 169746146 PEFDHAOFDBNZEQ-UHFFFAOYSA-N 273.956 2.688 30 50 CFEA in-vitro C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@@H](C2CC2)O1 408522518 AQYUKUHEOJIJBH-XCBNKYQSSA-N 283.784 2.672 30 50 CFEA C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 595657746 BPUXNSPZUCGNBV-OAHLLOKOSA-N 283.375 2.785 30 50 CFEA C(#CCN1CCOCC1)COc1ccc2ccccc2c1 16623100 WGPMWZIJXNPIFR-UHFFFAOYSA-N 281.355 2.554 30 50 CFEA Cc1nc(Cl)cc(N/N=C/c2ccccc2[N+](=O)[O-])n1 4595586 FJTFUBLMOQXJKT-VGOFMYFVSA-N 291.698 2.793 30 50 CFEA C=C1C(=O)O[C@@H](CCCCCCCC)[C@H]1C(=O)O 2507130 VCWLZDVWHQVAJU-RYUDHWBXSA-N 254.326 2.919 30 50 CFEA biogenic CCCCCCCC(=O)[C@@H]1C(=O)C=C(C)OC1=O 2495935 PDDXPXTUPUYVPJ-CYBMUJFWSA-N 252.310 2.562 30 50 CFEA COc1cc(OC)cc(-c2nc(C)c(C(=O)O)cc2C#N)c1 216159182 NDGDPPYBZMXNJP-UHFFFAOYSA-N 298.298 2.644 30 50 CFEA C[C@]1(O)C[C@@H](Nc2cccc(Br)c2C#N)C1 591369356 HUIAKCOUNSIRSA-LYWQIFSTSA-N 281.153 2.646 30 50 CFEA Cc1ccc(C#N)c(N2CC[C@H](c3ccncc3)C2)n1 599103565 UVGQHNKAZMYIBZ-HNNXBMFYSA-N 264.332 2.651 30 50 CFEA COc1ccc2c(c1)[C@@H](c1ccccc1)[C@@H](C=O)N2 2172344 NQDIUHFYUUWKBB-HZPDHXFCSA-N 253.301 2.820 30 50 CFEA Cn1cc(CN2CC[C@H](Oc3ccccc3)C2)cc1C#N 377206097 GCUYWYMMRXLOFA-KRWDZBQOSA-N 281.359 2.550 30 50 CFEA N#Cc1cccc(-c2ccc(Cn3ccnc3)cn2)c1 84605042 FLZCOZXEATXACZ-UHFFFAOYSA-N 260.300 2.865 30 50 CFEA COc1nccc(C[C@H]2COc3ccccc3C2)c1C#N 92028864 KQBRHGISCTZDDL-GFCCVEGCSA-N 280.327 2.756 30 50 CFEA N#CC1(COc2nccc(C(F)(F)F)n2)CCC1 581428470 IKYIGPIZNNAXEE-UHFFFAOYSA-N 257.215 2.568 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)[C@H]1CC[C@@H](C)O1 328609160 CJPMVVVSEBSPRN-FDYHWXHSSA-N 255.358 2.572 30 50 CFEA C[C@H]1CN/C(=N/CCCc2c(Cl)cccc2Cl)N1 849049798 SLOCNECRZFBMRR-VIFPVBQESA-N 286.206 2.863 30 50 CFEA COC(=O)c1ccc(COc2ccc(C#N)cc2OC)cc1 467324 KTHXCNKRKNBIGZ-UHFFFAOYSA-N 297.310 2.932 30 50 CFEA Cc1ccc(Cl)c2c1NC(=O)/C2=N\Nc1ccccn1 4713015 PEQDMQSUZWWMBC-UHFFFAOYSA-N 286.722 2.812 30 50 CFEA Cc1cc(B2OC(C)(C)C(C)(C)O2)c(N)cc1Cl 170003133 BEUOIFAPGOYXNV-UHFFFAOYSA-N 267.565 2.530 30 50 CFEA CC[C@@H]1CC[C@H](/C(O)=N/C[C@H]2CCO[C@@H]2C(C)C)O1 328613379 RVGRISJGYFCBTI-AAVRWANBSA-N 269.385 2.962 30 50 CFEA C=C(C)COCCNC(=O)CCc1c[nH]c2ccccc12 125973338 UKXYHBJPYNNVTL-UHFFFAOYSA-N 286.375 2.809 30 50 CFEA CCN(Cc1ccccc1F)C(=O)c1ccc(C#N)nc1 71763020 WJKCXUZAHGQHOK-UHFFFAOYSA-N 283.306 2.755 30 50 CFEA C[C@H](C#N)Sc1ccc(S(=O)(=O)C(F)(F)F)cc1 177405859 UGKSAJGFCRHNPV-SSDOTTSWSA-N 295.307 2.984 30 50 CFEA N#Cc1cc2n(n1)CCN(CCC1CCCCCC1)C2 670452476 IMHDICUQCHVXHJ-UHFFFAOYSA-N 272.396 2.931 30 50 CFEA CN/C(=N/Cc1ccc(C)cc1OCC1CC1)NC1CC1 86999539 MOCYECUHSRQCEQ-UHFFFAOYSA-N 287.407 2.611 30 50 CFEA CN(c1ccccc1)c1nc(C(=O)N2CC(C#N)C2)cs1 599969274 VOALOHLFOKXHOR-UHFFFAOYSA-N 298.371 2.507 30 50 CFEA C#CC1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 585089712 VAXGLQLCTCOYRT-UHFFFAOYSA-N 280.327 2.827 30 50 CFEA COc1ccc(C=C(C)c2cnccn2)cc1C#N 1857528651 BMMQSUDUMPPMAM-UHFFFAOYSA-N 251.289 2.917 30 50 CFEA N#Cc1ccc(-c2nnc(CN[C@@H]3CCC[C@@H]4C[C@H]43)o2)cc1 592182774 UUOJHBHLMJOIEP-RBSFLKMASA-N 294.358 2.886 30 50 CFEA CN(C)CCC#CC(O)(c1ccccc1)c1ccccc1 2270392 XXAZJAOFUNLQDT-UHFFFAOYSA-N 279.383 2.878 30 50 CFEA CC1(C)OB(c2ccc(Oc3ncccn3)cc2)OC1(C)C 197449133 ZPEICWIOBDONIG-UHFFFAOYSA-N 298.151 2.568 30 50 CFEA CCCC(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1 40456065 ZHFUTXPMBURRLL-UHFFFAOYSA-N 299.374 2.535 30 50 CFEA N#CC1(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CCSCC1 162290751 ZQGNIQXJPHHUPE-RWMBFGLXSA-N 278.421 2.718 30 50 CFEA Cc1ccc(/N=C(N)/C(N)=N/c2ccc(C)cc2)cc1 4100064 XQRIPWGZQQDDEO-UHFFFAOYSA-N 266.348 2.981 30 50 CFEA N#C[C@H](C1CCCCC1)S(=O)(=O)c1ccccc1 168023467 DYAUIMQCGWLIGS-CQSZACIVSA-N 263.362 2.933 30 50 CFEA Cc1c(C#N)c(N2C[C@H]3C[C@@H](O)C[C@H]3C2)nc2ccccc12 1857679028 UZWZUMXEBLCHHP-BTTYYORXSA-N 293.370 2.622 30 50 CFEA N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCOCC2)co1 2325810692 YCJMSHVIJDXILK-OAHLLOKOSA-N 288.347 2.573 30 50 CFEA Cc1ccc2c(c1)c1c(n2CCC#N)CCN(C)C1 2116110 DFYXVIAMHBGWFS-UHFFFAOYSA-N 253.349 2.851 30 50 CFEA biogenic C=CCOc1c(CNC(C)(C)CO)cccc1OCC 2862141 YQNAFZRUJMQBTQ-UHFFFAOYSA-N 279.380 2.511 30 50 CFEA Cc1sc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(C#N)c1C 100775900 YNJUGKHCEOIJOA-UKJIMTQDSA-N 298.367 2.548 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)N[C@@H](C)CC1CC1 328639270 WVOWIUCATCXSDH-IACUBPJLSA-N 268.401 2.740 30 50 CFEA CC(O)=Nc1ccn([C@H]2CCN(Cc3occc3C)C2)n1 328622831 IRZWCMVQLGGPEZ-ZDUSSCGKSA-N 288.351 2.839 30 50 CFEA N#Cc1csc(C(=O)N2CCC(OC3CCC3)CC2)c1 333141608 JLRFIFRPQIVAFJ-UHFFFAOYSA-N 290.388 2.793 30 50 CFEA Cc1cc(C2CCC2)nc(N2CCC[C@H](C#N)C2)n1 71760359 OSIXHOGHAOJJOE-GFCCVEGCSA-N 256.353 2.793 30 50 CFEA CCC(CC)(CN[C@@H]1CCC[C@H](C#N)C1)C(=O)O 263075017 QJVJHNQSRWNQMV-NWDGAFQWSA-N 252.358 2.549 30 50 CFEA Cn1ccnc1[C@H]1CCCN(Cc2cccc(C#N)c2)C1 82087034 QALRMIVEXVWODG-INIZCTEOSA-N 280.375 2.671 30 50 CFEA COC(=O)Cc1ccc(CNc2ccc(C#N)c(C)n2)cc1 1413899256 BTLPCAQOHIMYED-UHFFFAOYSA-N 295.342 2.589 30 50 CFEA COc1cc(C)c(B2OC(C)(C)C(C)(C)O2)cc1C 228176200 GFKDUWUWCZSILU-UHFFFAOYSA-N 262.158 2.611 30 50 CFEA CC1(C)OB(c2cc(F)ccc2Cl)OC1(C)C 169747308 ZDEZMLTVDFZRET-UHFFFAOYSA-N 256.513 2.778 30 50 CFEA Cc1ccnc(N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1C#N 225647731 YXFOKOZSGUCRRV-GDBMZVCRSA-N 297.333 2.713 30 50 CFEA C=C(C)C[C@@H](NCc1cc2ncccc2s1)C(=O)O 2325789551 XENROJOXJBTTIZ-GFCCVEGCSA-N 276.361 2.805 30 50 CFEA CC1(C)OB(c2ccccc2[C@]2(C)CCO2)OC1(C)C 958647445 DQQQENGYXSKPTD-INIZCTEOSA-N 274.169 2.621 30 50 CFEA Cc1cc(C)n(Cc2ccc(F)cc2)c(=O)c1C#N 3029831 OBSDHHNINXNDAV-UHFFFAOYSA-N 256.280 2.524 30 50 CFEA CCN(Cc1ccc(N(C)C)cc1)CC1(C#N)CC1 328592841 JENFPAWOPJZDPO-UHFFFAOYSA-N 257.381 2.878 30 50 CFEA CCn1cc(CN2CC[C@@H](n3nc(C)cc3C)C2)cc1C#N 72144352 VESHIEAUYWLIDG-MRXNPFEDSA-N 297.406 2.640 30 50 CFEA CCC#CCN1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91585596 YRLUHSRSTQUJLK-SFHVURJKSA-N 288.435 2.514 30 50 CFEA C=CC[C@@H]1CCC[C@H]1NC(=O)c1coc(/C=C/C(=O)O)c1 1875270592 AVWJHZITLRIWOA-OZBKYDQSSA-N 289.331 2.852 30 50 CFEA C[C@@]1(c2ccccc2)CN(C(=O)[C@@H](C#N)CC2CC2)CCO1 585079539 LLYLXGXYIAYFPP-QAPCUYQASA-N 298.386 2.700 30 50 CFEA C[C@@H](CC#N)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 170608613 GUBLDZSNYHTJPN-YNEHKIRRSA-N 281.400 2.714 30 50 CFEA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1704336965 NYPHEIQYVPGIOB-SOLBZPMBSA-N 298.386 2.571 30 50 CFEA CC(C)CC1(CNC(=O)c2ccc(C#N)nc2)CCC1 151382040 BPSFSEZVTZRWIB-UHFFFAOYSA-N 271.364 2.899 30 50 CFEA N#Cc1ccc(N[C@@H]2CCN(c3ncccc3Cl)C2)cn1 160828345 DBEQTCFZJFVDCP-CYBMUJFWSA-N 299.765 2.692 30 50 CFEA C[C@]1(C#N)CCCN(C(=O)c2ccc(Cl)cn2)C1 612238952 VCURPKXEZWYMJJ-CYBMUJFWSA-N 263.728 2.501 30 50 CFEA Cc1ccc(C(=O)C[n+]2cccc(Br)c2)cc1 1827345 SHOHUAVSTDSKON-UHFFFAOYSA-N 291.168 2.928 30 50 CFEA COc1cccc(C#C[C@]2(O)CCC[C@@H]3C(=O)CCC[C@@H]32)c1 4532461 ZENPXSROBMXPQX-JENIJYKNSA-N 298.382 2.947 30 50 CFEA C#CC/N=C(/O)N1CCC[C@H]1/C=C/c1cccs1 328587379 JWAKKJJRWLXXIN-GUOLPTJISA-N 260.362 2.773 30 50 CFEA C=CC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2C=C)cc1 490731106 IZOCFYPVBBOFKH-INIZCTEOSA-N 298.386 2.670 30 50 CFEA C[C@@H](NC(=O)[C@H]1CO1)c1cc(Cl)ccc1Cl 1875372876 ONAAYNSYQHNAGZ-LHLIQPBNSA-N 260.120 2.569 30 50 CFEA C#CC1CCC(NC[C@@H](CCO)c2ccccc2)CC1 888098895 QEWPHFSRPYBUAO-IIIMJFFVSA-N 271.404 2.934 30 50 CFEA N#CCCN1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280351173 IHZVKZASLBVZNG-ZWNOBZJWSA-N 284.281 2.727 30 50 CFEA C=CCNC(=O)C1CCN(Cc2cccc(C)c2)CC1 16606877 CDERCMMUBLAXIL-UHFFFAOYSA-N 272.392 2.509 30 50 CFEA CSc1ncccc1C(=O)N1CCC[C@](C)(C#N)C1 217611024 HQKSOHBEBFSRFL-CQSZACIVSA-N 275.377 2.569 30 50 CFEA N#Cc1ccccc1NC(=O)COc1ccc(F)cc1 6742016 LWYXRTSKJMZTSY-UHFFFAOYSA-N 270.263 2.715 30 50 CFEA C[C@](O)(CNc1cccc(Br)c1C#N)C1CC1 310134313 LLTCSWPFILDLAE-ZDUSSCGKSA-N 295.180 2.894 30 50 CFEA N#Cc1ccc(Cn2c(=O)sc3ccccc32)cc1 41677 HWENRSIMXSIXGC-UHFFFAOYSA-N 266.325 2.983 30 50 CFEA Cc1ccc[n+](CC(=O)OC23CC4CC(CC(C4)C2)C3)c1 4996997 QELBRQFSJYTHNJ-UHFFFAOYSA-N 286.395 2.795 30 50 CFEA CC1(C)CC(=O)C([N+](=O)[O-])=C(NCc2ccccc2)C1 100351582 NMUNUXWEETXHMX-UHFFFAOYSA-N 274.320 2.654 30 50 CFEA CCc1cc(C#N)c(NC(=O)[C@H](OC)C2CC2)s1 331893361 MMZFZARCUOEOQH-LLVKDONJSA-N 264.350 2.546 30 50 CFEA CN1CCC[C@H](Nc2ccc(C#N)nn2)c2ccccc21 1775988673 MFFXSZOXDAAGIL-AWEZNQCLSA-N 279.347 2.731 30 50 CFEA Cc1n[nH]c2ncc(NCc3ccc(C#N)cc3)cc12 189344574 ZCSWEMGIBKXQEO-UHFFFAOYSA-N 263.304 2.750 30 50 CFEA CN(C)[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 306602281 VTFPQICQYBBNII-LBPRGKRZSA-N 251.179 2.658 30 50 CFEA COc1ccccc1/C=C/c1nc(C#N)c(N(C)C)o1 4840031 FHGZSFSLFQOTNM-CMDGGOBGSA-N 269.304 2.791 30 50 CFEA aggregator Cc1cccc(-n2c(C)cc(/C=N/NC(N)=S)c2C)c1 8687372 RHWDDZXJHUIEOE-RQZCQDPDSA-N 286.404 2.570 30 50 CFEA CC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 170006097 OJZIJXVVLUQHKL-UHFFFAOYSA-N 280.560 2.842 30 50 CFEA N#Cc1cc(F)cc(-c2nc(-c3ccc(F)cn3)no2)c1 33980255 RBSPCALDSNXWEP-UHFFFAOYSA-N 284.225 2.948 30 50 CFEA in-vitro CC(C)=CCN1C[C@H]2CC[C@@H]1CN(c1cccc(C#N)n1)C2 95375997 BEDWBAGFCNNVJP-NVXWUHKLSA-N 296.418 2.820 30 50 CFEA O=C1C=CC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2[C@]23C=C[C@@]12CC=CC3 254386591 JXEJUTYOEIZHKE-YULKNUEKSA-N 264.324 2.635 30 50 CFEA Cc1ccc(N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)nc1C#N 225579148 HEKFGEPZUNQQGD-IMJJTQAJSA-N 285.391 2.782 30 50 CFEA C#CC(C)(C)CSc1ncc2c(n1)CCCC2=O 2325803074 OQYFRANSRFQJNJ-UHFFFAOYSA-N 260.362 2.747 30 50 CFEA O=C(NOC(=O)c1cccs1)c1ccc(Cl)cc1 2965805 LZECJFVIQLICGH-UHFFFAOYSA-N 281.720 2.903 30 50 CFEA CCN(CC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 252498338 QZDNXTZECXGDMA-CYBMUJFWSA-N 281.400 2.621 30 50 CFEA CC1(C)OB(c2cc(Cl)c(N)cc2Cl)OC1(C)C 170003438 AILLRNONPORJPH-UHFFFAOYSA-N 287.983 2.875 30 50 CFEA CC1(C)[C@H]2CN(C(=O)/C=C/c3cccc(C#N)c3)C[C@@H]21 174096148 WWMWSBZODPXBNE-KXLSMFKISA-N 266.344 2.686 30 50 CFEA N#Cc1cc(Cl)ccc1NCC1(CCO)CC1 157243067 IGTLKEYTOSTAAQ-UHFFFAOYSA-N 250.729 2.786 30 50 CFEA N#Cc1cnc2c(F)cc(F)cc2c1N1CCCC1 334240580 MFKHZUXKWNKBEI-UHFFFAOYSA-N 259.259 2.985 30 50 CFEA O=C1C=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@]23C=C[C@@]12CC=CC3 254386595 JXEJUTYOEIZHKE-ZFPNSWABSA-N 264.324 2.635 30 50 CFEA Cc1nc(C)c(CNc2nc3ccccn3c2C#N)s1 170087816 MCYCWRBYTDFOSE-UHFFFAOYSA-N 283.360 2.891 30 50 CFEA C[C@@H]1CCC[C@@]1(C#N)NC(=O)c1cc(F)c(F)c(O)c1F 195561577 GENYUEBLUPGBFR-UOWDBTKRSA-N 298.264 2.622 30 50 CFEA C=CCCC(=O)N[C@@H](CO)c1ccc(Br)cc1 355761723 SAFZTXAQUVPVJW-LBPRGKRZSA-N 298.180 2.565 30 50 CFEA O=C1c2ccccc2CC[C@]12O[C@@H]2c1ccncc1 13283793 HRRSYOHGEGUQGA-CVEARBPZSA-N 251.285 2.721 30 50 CFEA COc1cc(C#N)ccc1OCc1ccc(C(=O)O)cc1 4954738 BLXGPXVOTCXRIW-UHFFFAOYSA-N 283.283 2.844 30 50 CFEA CC(C)/N=C(\NC(C)C)OCc1ccc([N+](=O)[O-])cc1 16054437 FYDMCLCYYCIDMZ-UHFFFAOYSA-N 279.340 2.874 30 50 CFEA in-vitro N#Cc1ccc(F)c(CN[C@@]2(CO)CCc3ccccc32)c1 136188783 DJXJVBZFDZTILW-GOSISDBHSA-N 296.345 2.621 30 50 CFEA CS(=O)(=O)c1scc(-c2ccccc2)c1C#N 96276 PVFZXSBLYGSNJD-UHFFFAOYSA-N 263.343 2.690 30 50 CFEA COCCNc1oc(-c2cccc(C)c2)nc1C#N 2194780 PVNOGAVSAJXARV-UHFFFAOYSA-N 257.293 2.580 30 50 CFEA C=CCOc1cc(Br)c(CO)cc1OCC 2838635 OGJOKWXLMKSYLE-UHFFFAOYSA-N 287.153 2.905 30 50 CFEA CO/N=C\c1cc(Br)cc(F)c1F 114546374 MNWWSXUNSCUBHU-QCDXTXTGSA-N 250.042 2.708 30 50 CFEA Cn1cc([C@H]2OCC[C@@H]2/C(O)=N/[C@@H]2C=CCCC2)cn1 328617053 CITAWRFELNTCGR-HZSPNIEDSA-N 275.352 2.563 30 50 CFEA Cc1nsc(N2CCc3sccc3C2)c1C#N 241368012 MJIJRPSYXLFANG-UHFFFAOYSA-N 261.375 2.947 30 50 CFEA CC#CC(=O)NCCc1c(C(F)(F)F)[nH]c2ccccc12 870005816 LPEWLPKAQJHHBY-UHFFFAOYSA-N 294.276 2.869 30 50 CFEA N#Cc1ccc(-c2cccc3nsnc23)c(CO)c1 1875331213 VKSODXAOCKKTDU-UHFFFAOYSA-N 267.313 2.722 30 50 CFEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccoc1CC 281230944 FBMXULBHNVEZRS-SMDDNHRTSA-N 263.337 2.553 30 50 CFEA CCc1c2ccc(C)n2cc[n+]1CC(=O)c1ccccc1 1814746 RGISDPKXXOQASX-UHFFFAOYSA-N 279.363 2.981 30 50 CFEA C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)\c1ccco1 4361014 WMVVNORQKKRDQN-OVCLIPMQSA-N 278.275 2.545 30 50 CFEA C[C@@H](CN1CCOCC1)/N=C(/O)C1(C2CCC2)CCC1 328598327 LHZVVNSNHQDMQV-ZDUSSCGKSA-N 280.412 2.634 30 50 CFEA Cn1ccc(C/C(O)=N/C[C@H]2CCO[C@@H]2c2ccccc2)n1 328614354 VTDMWSODQNPXMQ-RHSMWYFYSA-N 299.374 2.697 30 50 CFEA C=C(C)CNC(=O)Nc1ccc(NC(C)=O)cc1Cl 157323122 SAQNKQZEAIAMJY-UHFFFAOYSA-N 281.743 2.996 30 50 CFEA COC(=O)[C@]1(C)[C@H](CC=O)C[C@]23C=CC[C@H]2CC[C@H]13 71786408 UFNDXPYYQPVPGS-YAYDYNKSSA-N 262.349 2.747 30 50 CFEA C=CCOc1ccc(CN2CCC[C@@H](OC)C2)cc1 91772215 QWSSDMCOOBAPQN-MRXNPFEDSA-N 261.365 2.862 30 50 CFEA CC(C)(C#N)CC(=O)N=[S@](C)(=O)c1ccc(F)cc1 952880719 WZNZZPGUNZAFNS-LJQANCHMSA-N 282.340 2.749 30 50 CFEA C#CCCC1(CCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)N=N1 952882053 LDZBVDFIJKADEB-UONOGXRCSA-N 289.379 2.512 30 50 CFEA C=C[C@@H](C)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 167458632 RDWFZORAHQFFHB-OLZOCXBDSA-N 268.401 2.940 30 50 CFEA CC1=CC(=O)/C(=C\Nc2ccc3nc(C)ccc3c2)C(=O)O1 1547200868 MGOPNJFUYJVULC-NTEUORMPSA-N 294.310 2.869 30 50 CFEA COc1ccc(/C=C\C(=O)c2ccccn2)cc1OC 4566990 SHLVTYKREZOGJB-VURMDHGXSA-N 269.300 2.995 30 50 CFEA N/C(=N\OC(=O)CCCc1ccccc1)c1ccccc1 4755354 ZEVOCZHOUHWUAT-UHFFFAOYSA-N 282.343 2.873 30 50 CFEA Cc1nn(C)cc1/C=C1\CCc2ccccc2C1=O 214156 XKOHTAMYCDGOHF-UKTHLTGXSA-N 252.317 2.941 30 50 CFEA N#Cc1ccc(C(=O)N2CCc3cccc(F)c3C2)cc1 128133483 QPDFGZZDJHAJSI-UHFFFAOYSA-N 280.302 2.896 30 50 CFEA N#Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1 2883807 ZFTIMSOTOIOYAI-UHFFFAOYSA-N 253.257 2.835 30 50 CFEA C=CCNC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl 2976684 MKGLNLRAMOEZEX-GFCCVEGCSA-N 270.159 2.804 30 50 CFEA C#CCOc1ccc(C(=O)Nc2cccc(C)n2)cc1 6715883 DNNMKMUDRAHJOB-UHFFFAOYSA-N 266.300 2.654 30 50 CFEA Cc1ccccc1[C@@H]1C2=C(C[C@H](C)CC2=O)Nc2ncnn21 10339506 GFOBERPIZPCKNS-MGPLVRAMSA-N 294.358 2.855 30 50 CFEA CN(Cc1cn2ccccc2c1C#N)[C@H](CO)C(C)(C)C 134381646 PZQFXYOOIOLWCH-MRXNPFEDSA-N 285.391 2.650 30 50 CFEA C[C@@]1(O)CCCN(/C(O)=N/C(C2CCC2)C2CCC2)C1 329703723 IZQLATJNHXXZGV-MRXNPFEDSA-N 280.412 2.716 30 50 CFEA N#CCc1cc(Br)ncc1C(F)(F)F 238578111 LMMIMVMSYIEOMB-UHFFFAOYSA-N 265.032 2.929 30 50 CFEA CC(C)CCC(=O)N[C@]1(C#N)CCc2ccccc2C1 183934984 WRXTUHUWCCMBDX-QGZVFWFLSA-N 270.376 2.990 30 50 CFEA CN(Cc1ccoc1)C(=O)c1cccc(C#CC(C)(C)O)c1 823636333 PDNXOJHYKXQCBG-UHFFFAOYSA-N 297.354 2.674 30 50 CFEA Cc1ccc([C@H](C)CCN2CCn3nc(C#N)cc3C2)o1 670453151 LGKLJBFDAADXGL-GFCCVEGCSA-N 284.363 2.666 30 50 CFEA CC1(C)OB(c2ccc([C@@]3(C)CCO3)cc2)OC1(C)C 950757197 GHUNZFXXDLLRNO-MRXNPFEDSA-N 274.169 2.621 30 50 CFEA O=C1CO/C(=N/C2CCCCC2)N1C1CCCCC1 3207097 VVGZJWNIRHLKRB-FOCLMDBBSA-N 264.369 2.867 30 50 CFEA CC(=O)C1=C(O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1 13146922 YDDHSNFHTLNLJU-ZACQAIPSSA-N 288.343 2.531 30 50 CFEA O=C1/C(=C/c2ccc(O)c(O)c2)Oc2ccccc21 4656505 HCBULGQMULJTCM-ZSOIEALJSA-N 254.241 2.714 30 50 CFEA CO/C(O)=N/c1nnc(COc2cccc(C)c2)s1 2846684 CGIGNMGYUJFAPX-UHFFFAOYSA-N 279.321 2.617 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1CNCc1ccc(C#N)cc1 267286818 QEFOZPPVOHWTPT-HZPDHXFCSA-N 258.365 2.709 30 50 CFEA C=C(Br)Cn1c([C@@H](C)O)nc2ccccc21 446679 LUUKBIUTMYDFOX-SECBINFHSA-N 281.153 2.998 30 50 CFEA COc1ccc(N(/C=N/C#N)CC(=O)c2ccccc2)cc1 2912176 SUCJOXLPJJEIJG-CPNJWEJPSA-N 293.326 2.894 30 50 CFEA C[S@@](=O)c1sc(C#N)c2c1C(=O)CC(C)(C)C2 34171162 FCOHQTUMMOCTIC-KRWDZBQOSA-N 267.375 2.512 30 50 CFEA Cc1cccc(Cc2noc(-c3cc(C#N)c[nH]3)n2)c1 230995865 FHPPVJLDSDWVOW-UHFFFAOYSA-N 264.288 2.836 30 50 CFEA CC(C)[C@H]1CN(c2cccc(C#N)n2)CCCN1CC1CC1 71712220 MEDJKEORYVTWFV-QGZVFWFLSA-N 298.434 2.900 30 50 CFEA COc1ccc(O)c(C=Nc2ccccc2C(=O)O)c1 257346457 HUSPWKOXCCTBDN-UHFFFAOYSA-N 271.272 2.850 30 50 CFEA C=CCN1CCC[C@H]1C(=O)N(C)Cc1ccc(CC)cc1 1506405055 KQZSEDGWGWQTIU-KRWDZBQOSA-N 286.419 2.858 30 50 CFEA C=CCc1ccccc1OCCOCCn1ccnc1 12379106 NEVKWVQJQSZKGL-UHFFFAOYSA-N 272.348 2.707 30 50 CFEA Cc1ccc(N/C(S)=N\C[C@H]2CCCO2)cc1 13468485 RTUKVGCQHOOILJ-GFCCVEGCSA-N 250.367 2.872 30 50 CFEA CC(=O)[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 169978287 QXTJFNYPSNXRCB-NSHDSACASA-N 250.147 2.933 30 50 CFEA CCOC(=O)c1c(/N=C\N(C)C)sc2c1CCCC2=O 102525127 MTVHOACKZWMVOJ-NVNXTCNLSA-N 294.376 2.665 30 50 CFEA Cc1cc(=NC[C@@]2(C)OCCc3sccc32)c(C#N)c[nH]1 425266570 IDOAWRQJYLCJNV-MRXNPFEDSA-N 299.399 2.645 30 50 CFEA Cc1c(-c2cc(C(F)F)nc(S)c2C#N)cnn1C 2558568 TVBTXDXTBAYPGN-UHFFFAOYSA-N 280.303 2.889 30 50 CFEA O/C(=N/[C@@H]1CCc2c[nH]nc2C1)[C@H]1CCOc2ccccc21 329844582 LIXYAGLIUAGOIL-OCCSQVGLSA-N 297.358 2.790 30 50 CFEA Cc1nc(-n2cccc2)sc1C(=O)/C=C\N(C)C 225390659 SUOJPZZFOQGCMP-TWGQIWQCSA-N 261.350 2.500 30 50 CFEA Cc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)ccn1 280228298 XHVJKKLTWNCJQZ-CYBMUJFWSA-N 257.337 2.544 30 50 CFEA C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(OC2CCCC2)nc1 408519361 KDPUSIRJQNCKSX-BZNIZROVSA-N 285.347 2.891 30 50 CFEA CN1CCN(/N=C/c2ccc(Cl)cc2Cl)CC1 5030075 HIIYDUCRDGJNOK-OQLLNIDSSA-N 272.179 2.575 30 50 CFEA NC(N)=Nc1nc(-c2ccccc2)c2ccc(Cl)cc2n1 206054777 JWUAQZCHKVRGMY-UHFFFAOYSA-N 297.749 2.855 30 50 CFEA O=C(ON1CC1(C(F)(F)F)C(F)(F)F)c1ccccc1 2937105 HZMQLAVMNLYWNJ-UHFFFAOYSA-N 299.170 2.937 30 50 CFEA CC(=O)C1=C(C)Nc2ncnn2[C@H]1/C=C/c1ccccc1 147778 WFMYIFRREPMSEA-VFNNOXKTSA-N 280.331 2.821 30 50 CFEA COc1cccc2c1CCN(c1cccc(C#N)n1)CC2 302855197 KYVHRORXMHZRQQ-UHFFFAOYSA-N 279.343 2.567 30 50 CFEA Cc1cc(C#N)cc(N2CCC[C@@H]2[C@@H]2CCCOC2)n1 591954811 BCVBPHXHWFMDMV-HUUCEWRRSA-N 271.364 2.657 30 50 CFEA COc1ccccc1/N=C(\NN)c1ccc2ccccc2n1 6674591 DLCVRBDTSPKCDD-UHFFFAOYSA-N 292.342 2.785 30 50 CFEA N#CC1(C#N)[C@H]2C=C[C@@H]([C@@H]3C4=C(CCCC4)[C@@H]23)C1(C#N)C#N 104280514 DEFLFSUEZFEXPP-VGWMRTNUSA-N 286.338 2.986 30 50 CFEA C=CCN(Cc1ccc(F)cc1)C(=O)[C@@H](N)CCCC 55244698 LMRPJHQTPGTRRQ-HNNXBMFYSA-N 278.371 2.858 30 50 CFEA Cc1nc(C#N)c(NCCCC(=O)Nc2ccccc2)o1 170623653 BTGDNYKAKJMDDT-UHFFFAOYSA-N 284.319 2.686 30 50 CFEA CC1(C)OB(c2cncc3ccccc23)OC1(C)C 169747544 LOMKRPABAXIQJL-UHFFFAOYSA-N 255.126 2.534 30 50 CFEA in-vitro C=CCOc1cccc(CN[C@H](CCSC)C(=O)O)c1 170612787 HDRIYAPQXNZGSQ-CQSZACIVSA-N 295.404 2.547 30 50 CFEA C#CCN1C(=O)S/C(=C/c2cc(C)n(CC)c2C)C1=O 1114775 QBBYMCQMRKUBHT-UKTHLTGXSA-N 288.372 2.794 30 50 CFEA CCc1c[nH]c2ncnc(N3CCC(CC#N)CC3)c12 893119642 WKODQTVXRLOLJL-UHFFFAOYSA-N 269.352 2.650 30 50 CFEA COc1ccccc1OCC#CCN1CCCCCC1 2862552 YWSBLRVYERODQE-UHFFFAOYSA-N 273.376 2.953 30 50 CFEA CC/C(=N\NC(=N)N)c1ccc(OCc2ccccc2)cc1 4760437 OPLPVGNZTXBBGL-CAPFRKAQSA-N 296.374 2.863 30 50 CFEA O=C1CC(c2cc([N+](=O)[O-])c(Cl)cc2Cl)=NO1 100355738 RHACGEWPTIRGBL-UHFFFAOYSA-N 275.047 2.553 30 50 CFEA CC[C@]1(c2ccc(Br)cc2)O[C@H]1C#N 306733691 UBMHTQPCFGWJMU-WDEREUQCSA-N 252.111 2.977 30 50 CFEA N#Cc1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)F 2784669 VHGGATHNAQXGEN-IUCAKERBSA-N 264.235 2.711 30 50 CFEA Cc1nscc1/C(O)=N/C1(CC(=N)O)CCC1 329311541 RDZXKTCNXRWKMA-UHFFFAOYSA-N 253.327 2.604 30 50 CFEA CC(=O)c1cccc(-c2nc(C)c(C(=O)O)cc2C#N)c1 215372937 AYLBQIXKUJESOH-UHFFFAOYSA-N 280.283 2.830 30 50 CFEA C=CCOc1ccccc1[C@H]1CC(=O)Nc2[nH]nc(C)c21 46016604 DYZJXMXKJXYMQY-GFCCVEGCSA-N 283.331 2.757 30 50 CFEA COc1ccc(Br)cc1/C(N=[N+]=[N-])=N/O 685939441 KRHBHSUNRCDUCP-WQLSENKSSA-N 271.074 2.904 30 50 CFEA c1ccc2c(c1)cnn2-c1ccc(OC[C@H]2CO2)cc1 1875378398 BXNUMJKMTFLLMT-HNNXBMFYSA-N 266.300 2.803 30 50 CFEA C[C@H]1Oc2ccccc2N(Cc2ccc(C#N)cc2)C1=O 36928470 XDAXJQGNPCGLQL-GFCCVEGCSA-N 278.311 2.872 30 50 CFEA in-vitro C=C(C)CN(CC)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 12455569 OHYOBJXZOUGFQR-AWEZNQCLSA-N 292.423 2.592 30 50 CFEA C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1 13126956 MDQVQKUDFDEWNY-BONVTDFDSA-N 280.331 2.546 30 50 CFEA C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 13943436 MIXFDFCKBMCLGN-SSZFMOIBSA-N 288.372 2.698 30 50 CFEA in-vitro CC(=O)c1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1 79827141 XNNLFYFCOXCBEL-LBPRGKRZSA-N 271.320 2.657 30 50 CFEA Cc1cccc([C@H]2CC(=O)NC3=C2C(=O)CCC3)c1 1430759 ZJVCVGDHSNYFKT-GFCCVEGCSA-N 255.317 2.606 30 50 CFEA CC(C)COc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1 170003602 FSNJARBPXLQDGX-UHFFFAOYSA-N 291.200 2.603 30 50 CFEA C[C@@H](Oc1ccc(Cl)cc1)C(=O)/C=C/N(C)C 1399903 HYBSAHPNXCCSOM-AAXQSMANSA-N 253.729 2.752 30 50 CFEA CC(C)(C)c1cc(C(F)(F)F)n2ncc(C#N)c2n1 2766561 UXYKYJRSGHEVOG-UHFFFAOYSA-N 268.242 2.917 30 50 CFEA CCO/C(=C/C(=O)C(F)(F)F)NC1CCCC1 79387647 UPLWKZZTSLEDFJ-JXMROGBWSA-N 251.248 2.528 30 50 CFEA Cc1nsc(N2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N 291955302 NTFZUTLUSNGTHM-GXSJLCMTSA-N 269.320 2.805 30 50 CFEA Cc1cc(C)n2nc(S[C@@H]3CC[C@@H](C#N)C3)nc2n1 278528562 HZGAISCIBZVRBL-GHMZBOCLSA-N 273.365 2.526 30 50 CFEA C[C@H]1CCC[C@]1(C#N)NC(=O)c1cc(F)c(F)c(O)c1F 195561581 GENYUEBLUPGBFR-JKYUHCHBSA-N 298.264 2.622 30 50 CFEA CC1(C(=O)O)CCN(c2c(Cl)cccc2C#N)CC1 592418856 ASDSFMBMDAMTDS-UHFFFAOYSA-N 278.739 2.903 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1[C@H](C)c1cccs1 14974357 WVCFSNJWSIGKSH-CHWSQXEVSA-N 278.421 2.966 30 50 CFEA C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCO3)c2C#N)C1 87523 RMDSCSYCOGQKCX-CABZTGNLSA-N 290.388 2.862 30 50 CFEA CCc1ccc(-c2nc(=S)[nH]c(O)c2C#N)cc1 8730729 AOROGSGMECMRSH-UHFFFAOYSA-N 257.318 2.946 30 50 CFEA C#CCSc1nnc(NC(=O)c2ccc(F)cc2)s1 2506078 YFUTWFYECJGSRQ-UHFFFAOYSA-N 293.348 2.655 30 50 CFEA C[C@@H]1C[C@]1(C#N)C(=O)N1Cc2ccccc2OC(C)(C)C1 336304110 SBNRXFTYIATCTB-SJKOYZFVSA-N 284.359 2.736 30 50 CFEA CCCCCCCNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 250830113 QMFWWRKULSMUSH-XDQVBPFNSA-N 279.380 2.596 30 50 CFEA CC(C)=CC(=O)Cc1nc2cc(C)c(C)cc2[nH]c1=O 17188616 QMGWGTAILLXHQA-UHFFFAOYSA-N 270.332 2.618 30 50 CFEA CCOc1cccc(/C=N/n2c(CC)n[nH]c2=S)c1 6519867 LMUQCMNGKHSUSW-NTEUORMPSA-N 276.365 2.784 30 50 CFEA O=C(O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 22205038 PCLXYUVGDHCRSF-OVCLIPMQSA-N 286.243 2.749 30 50 CFEA O=C(CN1C=C/C(=C2\C=CC=[S+]2)N=C1)c1ccc(F)cc1 328579877 IGBNUSPLRCNNAM-PEZBUJJGSA-N 299.350 2.532 30 50 CFEA Cc1cc(C=NO)c(C)n1-c1ccc(C(=O)O)cc1 239025323 BKHHNPNAPKPXFB-UHFFFAOYSA-N 258.277 2.600 30 50 CFEA CN(Cc1cc(C#N)ccn1)Cc1n[nH]c2c1CCCCC2 299764215 YIJACQHWWISOSD-UHFFFAOYSA-N 295.390 2.577 30 50 CFEA CC1(C)OB(c2cccc3ncccc23)OC1(C)C 169985715 YXRNJSUZRJEHPV-UHFFFAOYSA-N 255.126 2.534 30 50 CFEA in-vitro CCN(CC)CC#CC(CC)(CC)OCCC#N 5024265 DLTRBLDVVJKCTC-UHFFFAOYSA-N 250.386 2.821 30 50 CFEA Cc1ccccc1O[C@@H](C)C(=O)O/N=C(\N)c1ccccc1 4833678 CLWBSIVUGMOESR-ZDUSSCGKSA-N 298.342 2.626 30 50 CFEA CC(C)n1cc(NC(=O)c2cccc(C#N)c2)cn1 61683752 BDVWJNIJICOHES-UHFFFAOYSA-N 254.293 2.588 30 50 CFEA C=C1[C@@](O)(c2ccc(C)c(C)c2)C2CC[N+]1(C)CC2 403680 LTNJKVDNWYLFGC-NXYGQSRBSA-N 258.385 2.875 30 50 CFEA Cc1ccccc1C(=O)O/N=C(\N)Cc1cccs1 4193269 UFZQAGRTXJPCTD-UHFFFAOYSA-N 274.345 2.728 30 50 CFEA C=C(C)COc1ccc(C(=O)N(CC)CCN(C)C)cc1 55309283 IBDOAKTWAIBNMT-UHFFFAOYSA-N 290.407 2.665 30 50 CFEA CC(C)CC(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 67817839 NLXVEKIPJBGQGK-KRWDZBQOSA-N 299.418 2.542 30 50 CFEA CC#CC(=O)NC1(c2cc(F)cc(C(F)(F)F)c2)CC1 252508422 XNEQHVLETZABDF-UHFFFAOYSA-N 285.240 2.973 30 50 CFEA CCc1nnc(/N=C(\O)[C@@H](C)N2CCC[C@H](C)C2)s1 36247467 JTHPBHCPLODYQJ-VHSXEESVSA-N 282.413 2.809 30 50 CFEA CC(C)(C)OC(=O)[C@H](C#N)c1ccc(Br)cn1 71791005 PGJMVMLMMGJZLZ-SECBINFHSA-N 297.152 2.793 30 50 CFEA in-vitro CC1(C)OB(c2cc(Cl)cc(C#N)c2)OC1(C)C 169746591 AAZQJHZPPYLORA-UHFFFAOYSA-N 263.533 2.511 30 50 CFEA in-vitro CCOC(=O)C[n+]1cn(Cc2ccccc2)c2ccccc21 5568608 GBPZZWLWMCJHAQ-UHFFFAOYSA-N 295.362 2.540 30 50 CFEA C=CCNC(=O)[C@H](Cc1ccccc1)n1cccc1 12138150 JXPQIIYQBSJDFS-HNNXBMFYSA-N 254.333 2.574 30 50 CFEA CC(=O)O[C@@](C)(C#CCN1CCCC1)c1ccccc1 16671195 XMVLSPPHZRVYNO-KRWDZBQOSA-N 271.360 2.564 30 50 CFEA C[C@@](O)(CNCc1ccc(C#N)o1)c1ccccc1Cl 156693664 KBXWBAMIJNIJOZ-OAHLLOKOSA-N 290.750 2.802 30 50 CFEA C=C/C(O)=N/[C@@H](C)c1nc(Cc2ccccc2)no1 328597594 HWLJXHUYSNEOMV-JTQLQIEISA-N 257.293 2.864 30 50 CFEA CCN(C[C@@H]1CCCCO1)C(=O)c1ccccc1C#N 223385005 IHJIDWBYXIDHJE-AWEZNQCLSA-N 272.348 2.589 30 50 CFEA N#C[C@H](NC(=O)c1n[nH]c2ccccc12)C1CCCCC1 176616598 PTRDVNYQXWYIOF-AWEZNQCLSA-N 282.347 2.765 30 50 CFEA CN(CCCC1CCCC1)C(=O)c1ccc(C#N)nc1 584897664 FRNORFQWALGXSQ-UHFFFAOYSA-N 271.364 2.996 30 50 CFEA C#CCCC1(CCNCc2cnn(-c3ccccc3)c2)N=N1 1875376445 WXSZMVZVKYRDLY-UHFFFAOYSA-N 293.374 2.928 30 50 CFEA CC(C)C[C@H](N)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 169746900 YYXCDWMJTBCHJW-AIUMHDJVSA-N 265.206 2.627 30 50 CFEA Cc1cc(C)c(F)c(B2OC(C)(C)C(C)(C)O2)c1 169951902 RMWQMFCRBPVMHF-UHFFFAOYSA-N 250.122 2.742 30 50 CFEA C#CCN1C(=O)S/C(=C/c2ccc(CC)cc2)C1=O 979898 ZDBVCCLULQKRKW-JLHYYAGUSA-N 271.341 2.919 30 50 CFEA CC(C)(C)OC(=O)NCC1(C=O)C[C@@H]2CCC[C@H]2C1 1857780745 KLYCVKWBLLJRCH-RYUDHWBXSA-N 267.369 2.907 30 50 CFEA Cc1ccccc1[C@H]1C2=C(C[C@H](C)CC2=O)Nc2ncnn21 10339507 GFOBERPIZPCKNS-QFYYESIMSA-N 294.358 2.855 30 50 CFEA CCOC(=O)C1CCN([C@@H](C#N)c2ccc(C)cc2)CC1 67172734 LNZJKROSHSONKU-INIZCTEOSA-N 286.375 2.835 30 50 CFEA N#Cc1ccc(N2CC=C(c3ccccc3F)C2)nc1 253417622 APSCFFGNINCCCA-UHFFFAOYSA-N 265.291 2.996 30 50 CFEA Cc1nsc(NC(=O)N2CC[C@@H](C3CC3)C2)c1C#N 333878951 RDGUUYHPIXWKJY-SNVBAGLBSA-N 276.365 2.587 30 50 CFEA CC1(C)OB(c2ccc([C@H]3OCC3(F)F)cc2)OC1(C)C 1535643095 BKBDSTWCXBXKID-GFCCVEGCSA-N 296.122 2.692 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1CC[C@H](O)C12CCCCC2 585113634 CNLUOVPKKJQNLE-KBPBESRZSA-N 265.397 2.885 30 50 CFEA COc1ccccc1O[C@@H](C)C(=O)Nc1cccc(C#N)c1 5965432 KPHKZDMWPALKMD-LBPRGKRZSA-N 296.326 2.973 30 50 CFEA C=C(C)CNC(=O)N[C@@H](C)c1cnn(Cc2ccccc2)c1 156280912 VNMZCCLPBSMHIF-AWEZNQCLSA-N 298.390 2.868 30 50 CFEA CC[C@@H](CC(F)(F)F)Nc1nc(C)cc(C#N)n1 588017518 BYVFBNGMLFEXBO-QMMMGPOBSA-N 258.247 2.800 30 50 CFEA COc1ccccc1C(=O)Nc1cccc(C#N)c1 556202 CVOPEVOCOFQFJZ-UHFFFAOYSA-N 252.273 2.819 30 50 CFEA C=CCSc1nc(=O)c2c(C)c(C)sc2[nH]1 8584026 JCDAAUZHHDTSTG-UHFFFAOYSA-N 252.364 2.880 30 50 CFEA Cc1cc(C(=O)NC2(C#N)CCCCC2)c2c(C)noc2n1 122711050 KAHUPDPNPQNYON-UHFFFAOYSA-N 298.346 2.796 30 50 CFEA C=CCC[C@](C)(C#CCN1CCCCC1)OC(C)=O 2495988 ZRSPQCPIEWZCGP-MRXNPFEDSA-N 263.381 2.764 30 50 CFEA CC(C)(C)OC(=O)N[C@@H](CC=O)Cc1ccccc1 34369876 BIUYWIKFGQHAFZ-ZDUSSCGKSA-N 263.337 2.711 30 50 CFEA Sc1nnc(C2CCCCC2)n1N=Cc1ccccn1 244831557 UFZAMKZXLBAXPF-UHFFFAOYSA-N 287.392 2.892 30 50 CFEA C#CCCC1(CCC(=O)NC[C@@H]2C[C@H]2c2cccnc2)N=N1 952882456 VQRCYOBZUYCQRN-GJZGRUSLSA-N 296.374 2.657 30 50 CFEA N#C[C@@H](NC(=O)CCc1cccc(F)c1)c1cccnc1 1875389202 GJHDTDOWIGTLRB-OAHLLOKOSA-N 283.306 2.534 30 50 CFEA N#Cc1cc(N2CC[C@H]3C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 596511847 QWCNIHJBEQCDEJ-JQWIXIFHSA-N 294.314 2.861 30 50 CFEA O/C(CSc1ccc(Cl)cc1)=N\c1ncn[nH]1 16579279 DHTMECWMWYEXEB-UHFFFAOYSA-N 268.729 2.838 30 50 CFEA COCCCNc1oc(COc2ccccc2)nc1C#N 1857800383 UPSSQEGUIIHZJC-UHFFFAOYSA-N 287.319 2.574 30 50 CFEA Cc1ccc([C@H]2CC(=O)C=C(Nc3nnc[nH]3)C2)cc1 4511199 REUXQCFGUKQQSF-GFCCVEGCSA-N 268.320 2.556 30 50 CFEA CC(=O)Oc1cccc(C(=O)Nc2ccc(C#N)cc2)c1 4841390 WCAAHHGIHWDIBY-UHFFFAOYSA-N 280.283 2.736 30 50 CFEA COc1ccc(O)c(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1 4989913 CDGRBPFFSQEARN-OQLLNIDSSA-N 287.275 2.755 30 50 CFEA Cc1cccc(NC(=O)CSc2ncccc2C#N)c1 7051420 QNMBAMUPELWVQN-UHFFFAOYSA-N 283.356 2.993 30 50 CFEA C/C(=N\N=C(/N)S)C12CC3CC(CC(C3)C1)C2 8580307 KJYYVKYSBVQXBM-OVCLIPMQSA-N 251.399 2.823 30 50 CFEA N#Cc1ccc(C(=O)N2CCC[C@](CO)(CC3CC3)C2)cc1 91617085 NFTHMDRAHSFUOA-SFHVURJKSA-N 298.386 2.573 30 50 CFEA CC(C)N(C)c1ccc(/C=C/C(=O)c2ncco2)cn1 585135958 KLMJEPJXBMRPCX-GQCTYLIASA-N 271.320 2.810 30 50 CFEA N#CC1(CN2CCC(OC[C@H]3CCOC3)CC2)CCCC1 585116770 HUMRBVIITFCOPH-HNNXBMFYSA-N 292.423 2.588 30 50 CFEA CC[C@H]1C[C@H](CC(=O)N(CC#N)c2ccccn2)CCO1 585125277 MKUZLKVRWUFHHU-KGLIPLIRSA-N 287.363 2.533 30 50 CFEA COc1ccc(OC)c(/C=C/C(=O)C(F)(F)F)c1 12404784 MRGSOWRHAWYAOQ-ZZXKWVIFSA-N 260.211 2.848 30 50 CFEA in-vitro N/C(=N\OC(=O)c1ccccc1)c1ccccc1Cl 5064764 BXRQXJOBMDGRNO-UHFFFAOYSA-N 274.707 2.817 30 50 CFEA CC(=O)/N=C(/N=C(/C)O)Nc1nc(C)c2cc(C)ccc2n1 13590357 LADZSZCERZTSSZ-UHFFFAOYSA-N 299.334 2.537 30 50 CFEA Fc1cccc(/C=N/N2CCN(Cc3ccccc3)CC2)c1 19899187 LKKHGYMEPCPXLN-XSFVSMFZSA-N 297.377 2.977 30 50 CFEA N#Cc1ncccc1NC[C@H]1CCN(Cc2ccccc2)C1 309697166 FIYWYEUJKKGZGT-MRXNPFEDSA-N 292.386 2.887 30 50 CFEA N#C[C@H](Sc1ncnc2[nH]cnc12)C1CCCCC1 118178200 ZQJGJNVZZVRNLX-JTQLQIEISA-N 273.365 2.917 30 50 CFEA CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H]1CO1 44126957 NKGKCDXMOMAORK-STQMWFEESA-N 299.317 2.799 30 50 CFEA N#CCc1ncc(C(F)(F)F)cc1Br 238578466 ZUAIPMGVKOCQST-UHFFFAOYSA-N 265.032 2.929 30 50 CFEA CC(C)c1cccc2c1OC/C(=C\c1ncnn1C)C2=O 585136020 MOHGQXRFVIGPFA-YRNVUSSQSA-N 283.331 2.597 30 50 CFEA C=C[C@H](C(=O)NC[C@H](C)Cn1ccnc1C)c1ccccc1 1329611214 SEPCAOKFECYDSL-YOEHRIQHSA-N 297.402 2.914 30 50 CFEA Cc1nc(Cl)cc(N[C@H]2CCCC[C@H]2C#N)n1 585098856 JVHDQNRLBXALGH-UWVGGRQHSA-N 250.733 2.933 30 50 CFEA Cc1ccc(C2(C(=O)NC3(C#N)CC3)CCC2)cc1 591765358 XUCQEISUEUJGTR-UHFFFAOYSA-N 254.333 2.589 30 50 CFEA CC(C)(C)c1ccc(CC/C=N/NC(N)=S)cc1 5015626 ZVPFEXQCYCXYKY-MHWRWJLKSA-N 263.410 2.736 30 50 CFEA CNc1oc([C@@H]2C[C@@H]2c2ccc(OC)cc2)nc1C#N 1857799350 XYQPLGCLWCYFSJ-VXGBXAGGSA-N 269.304 2.868 30 50 CFEA N#Cc1cccc(CN2CC[C@@](CO)(c3ccccc3)C2)c1 365850579 YQYKGSARXYGVDZ-LJQANCHMSA-N 292.382 2.694 30 50 CFEA Cc1cc(O)c(Cl)cc1B1OC(C)(C)C(C)(C)O1 306264223 OJYXAXUCLZMIHC-UHFFFAOYSA-N 268.549 2.653 30 50 CFEA Cc1n[nH]c(C)c1N=C(O)N=c1c(C)c[nH]c2ccccc12 328595949 LIZZHBDMHPWKJL-UHFFFAOYSA-N 295.346 2.963 30 50 CFEA COC(=O)/C(Cl)=N/Nc1ccc(C(C)C)cc1 97943442 BUMLNPXBAALDKV-PTNGSMBKSA-N 254.717 2.947 30 50 CFEA CC1(C)OB(c2cc3cc(O)[nH]c3cc2Cl)OC1(C)C 950757472 IPJZYBDHZLGGIA-UHFFFAOYSA-N 293.559 2.826 30 50 CFEA CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H](C2(C)C)[C@]12CO2 1535646174 NLSDUSQYPVZQDN-YYHMBLRTSA-N 267.369 2.715 30 50 CFEA O=C(C[n+]1ccc(-c2ccccc2)nc1)c1ccccc1O 5902458 HISQIHOCKKBVCS-UHFFFAOYSA-O 291.330 2.625 30 50 CFEA CC1(C)OB(c2ccc3scnc3c2)OC1(C)C 169746187 MGOKEBHEDJCRQN-UHFFFAOYSA-N 261.155 2.596 30 50 CFEA COc1ccc2ccccc2c1/C=N/N1CCOCC1 3576209 IAMWGQRVVZGKKX-SFQUDFHCSA-N 270.332 2.515 30 50 CFEA C=CCN(Cc1ccc(C)s1)C(=O)c1ccc(=O)[nH]c1 55228516 VGTWKGBAQMONIC-UHFFFAOYSA-N 288.372 2.573 30 50 CFEA C#CCN(Cc1ccnn1C)[C@@H]1CCc2ccccc21 127545640 MBRJXDAYSNXRIL-QGZVFWFLSA-N 265.360 2.543 30 50 CFEA Cc1cc(C)c(C#N)c(NCCNC(=O)OC(C)(C)C)n1 133365854 KHNXRVGPAAOLSG-UHFFFAOYSA-N 290.367 2.507 30 50 CFEA C=C(C)C[C@@H](C)C(=O)Nc1cc(-n2ccnn2)ccc1F 585114347 GLDHAZNNYAOXSD-LLVKDONJSA-N 288.326 2.947 30 50 CFEA C=CCn1c(SCCCC)nc(O)c(CC)c1=O 16513163 PFGMNWYUKVOHAS-UHFFFAOYSA-N 268.382 2.590 30 50 CFEA CC#CC(=O)N(CCCC)[C@@H]1CCc2ncsc2C1 844101334 BMDKONAWXXYWRB-GFCCVEGCSA-N 276.405 2.652 30 50 CFEA C=C1CSc2nc(=O)c3c4c(sc3n21)CCCC4 237925 SIRZVUWZCZMOBB-UHFFFAOYSA-N 276.386 2.913 30 50 CFEA C=CCOc1cccc(CNCc2cccnc2)c1 2178092 XULOXIVPDFSBKX-UHFFFAOYSA-N 254.333 2.936 30 50 CFEA C=CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C 4956585 OKJIZKAXRQGFGW-LSDHHAIUSA-N 298.386 2.818 30 50 CFEA CC(C)CN1CCC[C@@H](CNC(=O)c2ccccc2C#N)C1 67788779 LHXLEKOLHKTLEP-HNNXBMFYSA-N 299.418 2.656 30 50 CFEA N#Cc1ccc(CN2CCC(Cn3ccnc3)CC2)cc1 216492356 GYMSMSVZVFVMAQ-UHFFFAOYSA-N 280.375 2.667 30 50 CFEA Cc1ccc(NC[C@@H]2CCN(C[C@@H](C#N)CCC#N)C2)nc1 222204521 IFLUXMVICZVMDC-CVEARBPZSA-N 297.406 2.567 30 50 CFEA CCSc1cccnc1C(=O)N(C)[C@H](C#N)CC 594085261 VWMIOYAYOBVQFG-JTQLQIEISA-N 263.366 2.568 30 50 CFEA C=C(C)CN(Cc1ccccc1)C(=O)c1cnc(C)n1C 585129702 SDLMHAJBJABFOZ-UHFFFAOYSA-N 283.375 2.947 30 50 CFEA COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O)c1 5999049 JVGNTXGHBHMJDO-QHHAFSJGSA-N 286.283 2.708 30 50 CFEA biogenic,in-vitro CC(C)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 203918630 AGLDXXSDCGFLIS-UHFFFAOYSA-N 279.164 2.945 30 50 CFEA C#CCO[C@@]1(c2ccccc2)OC(=O)c2ccccc21 4141691 WTMCVCIZJVIOAL-KRWDZBQOSA-N 264.280 2.708 30 50 CFEA C=CCCC(=O)NCC1CCN(c2ccccc2)CC1 279919523 VXCGVOSKUINYMS-UHFFFAOYSA-N 272.392 2.985 30 50 CFEA N#CCCn1nc(-c2ccccc2)c2ccccc2c1=O 2150447 UMOKWKQAKXBSFF-UHFFFAOYSA-N 275.311 2.977 30 50 CFEA CC(=O)OC1=CC=C2C=C(C(C)=O)c3ccccc3[C@]23O[C@H]13 4583023 CGWRTRGFUKIGPA-QZTJIDSGSA-N 294.306 2.654 30 50 CFEA N#CC1(c2nc(-c3ccc(N4CCCC4)nc3)no2)CCC1 356039500 RXHRXAMTRVZUHL-UHFFFAOYSA-N 295.346 2.677 30 50 CFEA OC(=Nc1cncc(F)c1)c1coc(C2CCOCC2)n1 328810353 OHYVRZPZRSVTBY-UHFFFAOYSA-N 291.282 2.739 30 50 CFEA C[C@H](Oc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C 133941336 ZZVXWQVPLDTRAY-VIFPVBQESA-N 265.284 2.806 30 50 CFEA N#CCN(C(=O)c1cccnc1)c1cccc(Cl)c1 1875365084 SDVRZNHMAHZWGE-UHFFFAOYSA-N 271.707 2.905 30 50 CFEA COc1ccc(C(=O)/C=C/Nc2ccccn2)c(OC)c1 13656160 RLIAJFFCBOTYPJ-CSKARUKUSA-N 284.315 2.907 30 50 CFEA CC1(C)OB(c2csc([C@@H]3CCCNC3)c2)OC1(C)C 169745797 PRNSVEVZAQBDQO-LLVKDONJSA-N 293.241 2.514 30 50 CFEA Cc1ccc2[nH]c(B3OC(C)(C)C(C)(C)O3)cc2c1 169935388 RNRIKENXTSRARN-UHFFFAOYSA-N 257.142 2.776 30 50 CFEA CN(C(=O)COc1ccc(C#N)cc1)c1ccccc1 3307831 RPODRDDGICPFQP-UHFFFAOYSA-N 266.300 2.600 30 50 CFEA Cc1cc(C#N)cc(N2CC[C@H](c3ccncc3)C2)n1 601186767 ZSRRJYOCQLADNF-HNNXBMFYSA-N 264.332 2.651 30 50 CFEA C[C@@]1(C#N)CCCN(C(=O)c2ccc(Cl)cn2)C1 612238956 VCURPKXEZWYMJJ-ZDUSSCGKSA-N 263.728 2.501 30 50 CFEA C=CCn1cc(CNCc2ccccc2OC)c(C)n1 55568733 DDRFPNUOJJFBSN-UHFFFAOYSA-N 271.364 2.676 30 50 CFEA O/C(=N/Cc1ccc(C2CC2)cc1)NC[C@@H]1CCC[C@H]1O 330049539 KXOBRUHKOVDSJD-JKSUJKDBSA-N 288.391 2.729 30 50 CFEA N#CCN1CCc2cc(C(=O)Nc3ccccc3)ccc21 685945039 QAFJMBFHLFERDS-UHFFFAOYSA-N 277.327 2.825 30 50 CFEA CC(C)c1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1[N+](=O)[O-] 188096764 QYXNRPRJSQEUHG-ZDUSSCGKSA-N 287.319 2.750 30 50 CFEA C=C[C@@H](c1ccccc1)c1nc(C(C)(C)NC(C)=O)no1 1615615248 WNPNYUOWWHNTML-ZDUSSCGKSA-N 285.347 2.759 30 50 CFEA Cc1c(Cl)cccc1N/C(S)=N/N1CCOCC1 13468628 CAMGJZXHSJIUGB-UHFFFAOYSA-N 285.800 2.593 30 50 CFEA Cc1ccc(/C(N)=N/OC(=O)c2ccc(F)cc2)cc1 18172976 UHOUTQDPMVNNCK-UHFFFAOYSA-N 272.279 2.611 30 50 CFEA aggregator Cc1nc(Oc2ccccc2C#N)ccc1[N+](=O)[O-] 301653715 REFVVQCESWGMLY-UHFFFAOYSA-N 255.233 2.962 30 50 CFEA CC1(C)OB(c2ccccc2[C@@]2(C)CCO2)OC1(C)C 958647446 DQQQENGYXSKPTD-MRXNPFEDSA-N 274.169 2.621 30 50 CFEA COc1ccc([C@@H]2CC(=O)C=C(NC3CC3)C2)cc1 307459 VWPUMBMNEUEYCH-LBPRGKRZSA-N 257.333 2.778 30 50 CFEA O=C(CCC#CBr)OCCOc1ccccc1 2831232 ZDAHXRFPFNURKO-UHFFFAOYSA-N 297.148 2.745 30 50 CFEA O=C(Nc1ccccc1)[C@]12C[C@H]1/C(=N\O)c1ccccc1O2 3946640 FPXPIEZPAXSELW-RGNAGUPPSA-N 294.310 2.655 30 50 CFEA in-vitro C=C(C)COc1ccc(C(=O)NC[C@@H]2CCCCO2)cc1 55384267 AYMXXXUOLORZRQ-INIZCTEOSA-N 289.375 2.940 30 50 CFEA O=C1c2cccc3cc(Br)cc(c23)C(=O)N1O 23634229 DAPDTTZROMOMJD-UHFFFAOYSA-N 292.088 2.588 30 50 CFEA N#C[C@@H](C(=O)Nc1ccccc1F)c1nc2ccccc2[nH]1 121871714 JGPKIGRSSHHUKR-SNVBAGLBSA-N 294.289 2.948 30 50 CFEA Cc1c([C@H]2OCC[C@@H]2/N=C(/O)c2ccsc2)cnn1C 328615180 YAABHTZFEFCQTR-QWHCGFSZSA-N 291.376 2.625 30 50 CFEA COc1ccc(F)c(F)c1CN1CCC(C#N)CC1 216464055 WOQSUSHTSSWONE-UHFFFAOYSA-N 266.291 2.709 30 50 CFEA C=CC[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)NC1=O 16661244 MBXWXHPLDPNCAD-UXYFDLPDSA-N 293.779 2.838 30 50 CFEA N#Cc1cc(CN2C[C@H](O)Cc3ccccc32)ccc1F 390835205 GOXXDZLLAVGHHG-OAHLLOKOSA-N 282.318 2.621 30 50 CFEA C=CCSc1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 5789350 MGAQPTRWZUJILW-UHFFFAOYSA-N 262.294 2.658 30 50 CFEA Cc1cc(N2CCOCC2)n2c(nc3ccccc32)c1C#N 39385 MNTVCSGDKNIFEM-UHFFFAOYSA-N 292.342 2.504 30 50 CFEA C=CCN(CC=C)C(=S)NC(=O)c1ccc(F)cc1 2136626 FDTUCPAMXROZIA-UHFFFAOYSA-N 278.352 2.514 30 50 CFEA C=CCNC(=O)c1ccccc1NC(=O)C(C)(C)C 8556164 IWJFHAZPCIGODH-UHFFFAOYSA-N 260.337 2.587 30 50 CFEA CCCN(CC#Cc1ccccc1)C(=O)COC(C)C 55169049 DTYLCZJSMDVOIX-UHFFFAOYSA-N 273.376 2.702 30 50 CFEA C#CCCCCNC(=O)Cc1ccc(F)cc1Cl 132634414 GABJYZWGYJZPIX-UHFFFAOYSA-N 267.731 2.941 30 50 CFEA Cc1ncsc1CCN(C)Cc1cc(C#N)n(C)c1C 952982388 GXPXHWAJWDILAP-UHFFFAOYSA-N 288.420 2.645 30 50 CFEA CC(C)(C)OC(=O)N1CCC[C@@]2(C=O)CCC[C@H]12 1772716274 DIMDOBRGSSYNEH-SMDDNHRTSA-N 253.342 2.755 30 50 CFEA C=CCN(Cc1ccsc1)C(=O)CCc1ccnn1C 1529189331 MFTRZJDJBXEDLL-UHFFFAOYSA-N 289.404 2.629 30 50 CFEA COC(=O)C1=C(C)N/C(=C/c2cccc3ccccc23)C1=O 4094612 NTLWTBCZORYJPX-XNTDXEJSSA-N 293.322 2.800 30 50 CFEA CC#CC(=O)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 844008278 FTZORTVYDDJWCE-CHWSQXEVSA-N 281.359 2.729 30 50 CFEA CN1C(=O)CS/C1=N/c1ccc(Br)cc1 2939966 KAANEANCBKKQLE-ZRDIBKRKSA-N 285.166 2.642 30 50 CFEA NC(=O)CCCCCCCCC#CBr 3121699 IQGHBPMOZBVVSF-UHFFFAOYSA-N 260.175 2.948 30 50 CFEA C=CCN(Cc1ccccc1OC)C(=O)Cc1ccncc1 55132822 QZYGQWDSJGVHBX-UHFFFAOYSA-N 296.370 2.848 30 50 CFEA COC(=O)c1cc(C#N)c(Oc2ccccc2OC)nc1C 1382960 IILXTXAOCSYJQE-UHFFFAOYSA-N 298.298 2.849 30 50 CFEA N#Cc1cnn2c1nc(N1CCCCC1)c1ccccc12 1386942 GGAOILGQGKKKOA-UHFFFAOYSA-N 277.331 2.744 30 50 CFEA CC(C)Oc1ccc([C@H](O)CNc2ccc(C#N)nc2)cc1 239475373 ANUPPAKLRCDBQG-QGZVFWFLSA-N 297.358 2.886 30 50 CFEA O=C(N[C@@H]1CCCCC[C@@H]1c1ccccc1)[C@@H]1CO1 1875372721 LKPHICDOBUMDPK-KFWWJZLASA-N 259.349 2.618 30 50 CFEA N#Cc1cc(Br)cnc1C(F)(F)F 199794736 YWJOURXCSWXEHA-UHFFFAOYSA-N 251.005 2.735 30 50 CFEA O=C1c2ccccc2C(=O)N1/N=C/c1c[nH]c2ccccc12 250841 OXBMJYMUELJWDE-VXLYETTFSA-N 289.294 2.798 30 50 CFEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)CCN1CCCCO1 208286072 UDSSBWPGKOBNTL-GJZGRUSLSA-N 278.396 2.526 30 50 CFEA C=CCC(=O)NCc1cccnc1N(C)Cc1ccccc1 12580863 WZTYMYDAGRZGKF-UHFFFAOYSA-N 295.386 2.910 30 50 CFEA C/C(=N/Nc1ncccc1[N+](=O)[O-])c1ccccc1O 13303984 AKQJSENXROREAO-DHDCSXOGSA-N 272.264 2.532 30 50 CFEA O=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2O)c1 5514636 IVLAJZAWUQXYSU-RIYZIHGNSA-N 258.233 2.757 30 50 CFEA CC1(C)C[C@@H](/N=C(/O)c2cccc3oc(O)nc23)CCO1 328592853 MMLOJPRGJKLENV-VIFPVBQESA-N 290.319 2.796 30 50 CFEA C=C(C)CN(C)[C@H](C(=O)O)c1cc(C)ccc1OC 63846833 APOPKHSHZTVSHX-AWEZNQCLSA-N 263.337 2.637 30 50 CFEA COc1cccc(CCC(=O)N2CCC[C@@](C)(C#N)C2)c1 216056782 QFGCHPBTFXHRIC-KRWDZBQOSA-N 286.375 2.780 30 50 CFEA N#Cc1cccnc1N[C@@H]1CC(=O)N(CC2CCCCC2)C1 72123925 DSHVFDRYLNYVFR-OAHLLOKOSA-N 298.390 2.546 30 50 CFEA CC#CCCNC1CCN(c2ccc(C#N)cc2)CC1 348131980 HUVMAVRATHWKHO-UHFFFAOYSA-N 267.376 2.530 30 50 CFEA CC1(C)OB(c2cccc(OC(F)F)c2F)OC1(C)C 200572153 RQBBYOITJQPNNN-UHFFFAOYSA-N 288.074 2.726 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N1CCC(=O)c2cc(O)ccc21 585128070 RCDZKWHONFXXEX-LLVKDONJSA-N 273.332 2.914 30 50 CFEA COc1cc([N+](=O)[O-])cc(/C=N/c2ncccc2C)c1O 3091545 VWSDDNOQYIMEQE-LZYBPNLTSA-N 287.275 2.763 30 50 CFEA N#Cc1cc(F)cc(NC(=O)c2ncc3ccccn23)c1 1132226459 ZZMNTLUOMXLKBO-UHFFFAOYSA-N 280.262 2.597 30 50 CFEA CC1(C)CC[C@@H](CN2CCC(C#N)(c3ccccn3)CC2)O1 369216836 YDFKAFFTYCYKMD-HNNXBMFYSA-N 299.418 2.896 30 50 CFEA CC1(C)OB(c2ccc(F)cc2OCC2CC2)OC1(C)C 169964439 JMYZOCSPIBZDAE-UHFFFAOYSA-N 292.159 2.914 30 50 CFEA in-vitro CC(C)(C#N)CCCN1CCC[C@@H]1[C@@H](O)C(F)(F)F 222081981 KXMNHQPTVBCXHZ-GHMZBOCLSA-N 278.318 2.704 30 50 CFEA CSc1nc(-c2nccn2C2CC2)ccc1C#N 1875249315 SHNLDRVWKMSNPK-UHFFFAOYSA-N 256.334 2.874 30 50 CFEA C=CCS(=O)(=O)N1CCC[C@H](CCc2ccccc2)C1 15073282 RYNSITDRHPNLGY-MRXNPFEDSA-N 293.432 2.847 30 50 CFEA Cc1cc(C)c(C#N)c([S@](=O)Cc2ccccc2)n1 4977890 IAQYXTBUOWEFQZ-IBGZPJMESA-N 270.357 2.878 30 50 CFEA O=C1C=CC(=O)[C@H]2[C@H]1[C@H]1C3=C([C@H]4CC[C@H]3C4)[C@H]2C12CC2 104296685 XNEFJUNJLZTNMN-SBMYXSNUSA-N 266.340 2.693 30 50 CFEA CC(=O)O[C@H](C#CBr)c1ccccc1 294608 XNZPLOIVOXICDX-LLVKDONJSA-N 253.095 2.647 30 50 CFEA Cc1nnc(NCCC[C@H]2CCCC[C@H]2O)c(C#N)c1C 154505947 ZKQVWEJLJVTDIE-UKRRQHHQSA-N 288.395 2.708 30 50 CFEA CCc1c(C#N)c(N)nc2c1CN(c1ccccc1F)CC2 72147009 PVHKVXGOTYVCQJ-UHFFFAOYSA-N 296.349 2.800 30 50 CFEA CC(C)(C)OC(=O)N1CCC2(CC1)CC(C=O)C2 91368562 WBDRRHIDBADVAT-UHFFFAOYSA-N 253.342 2.613 30 50 CFEA in-vitro CC#CCNC(=O)c1ccc(SC(F)(F)F)o1 585131146 MYBQUTVLKWSUIY-UHFFFAOYSA-N 263.240 2.645 30 50 CFEA C=CCN(CC=C)C(=O)c1sc(C)cc1OC 193123009 JJRNZDVXMSNQSU-UHFFFAOYSA-N 251.351 2.879 30 50 CFEA O=[N+]([O-])c1ccc(N/C(S)=N/Cc2ccncc2)cc1 13523424 JWIQRHJOQFUKQG-UHFFFAOYSA-N 288.332 2.888 30 50 CFEA C[C@H]1CN(CCCCOc2ccccc2C#N)C[C@@H](C)O1 16489356 MFVDANBNLQYMGT-GASCZTMLSA-N 288.391 2.826 30 50 CFEA N#Cc1ccc(NC[C@@H](O)Cc2ccccc2)cc1 301072186 JMYXVEDEGBTWDG-INIZCTEOSA-N 252.317 2.574 30 50 CFEA C=CCNc1oc(-c2ccccc2OC)nc1C#N 2865638 AEPNISBYRRVTFC-UHFFFAOYSA-N 255.277 2.820 30 50 CFEA N#Cc1ncn(Cc2c(Cl)cccc2Cl)c1C#N 1390305 RGLMPXMFSGESQD-UHFFFAOYSA-N 277.114 2.982 30 50 CFEA CC1CC(NC2CCN(c3ccc(C#N)cc3)CC2)C1 285928365 CTSFABCPCWRSTB-UHFFFAOYSA-N 269.392 2.915 30 50 CFEA CC#CC(=O)NCc1nn(CCC(C)C)c2ccccc12 1875365880 VSYMUSQPTWZTDG-UHFFFAOYSA-N 283.375 2.722 30 50 CFEA C=CCn1c(C)nnc1S[C@@H](C#N)C1CCCC1 952884925 SGGZPPKYUVFTQI-LBPRGKRZSA-N 262.382 2.947 30 50 CFEA N#Cc1cncc(N[C@H]2CCC[C@@H]2Cc2ccccn2)n1 585098964 WUCZNOLEAIXSNM-DOMZBBRYSA-N 279.347 2.567 30 50 CFEA O=[N+]([O-])c1ccccc1/C=N/Nc1ccccc1[N+](=O)[O-] 4016813 ZBSVARHVRVWUFW-NTEUORMPSA-N 286.247 2.949 30 50 CFEA C(#CC1(N2CCOCC2)CCCC1)c1ccccc1 19707735 VYDQOKHJRQEQEZ-UHFFFAOYSA-N 255.361 2.683 30 50 CFEA Cc1cn(C)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12 206176615 JBJMVWLMOUNKRA-UHFFFAOYSA-N 271.169 2.786 30 50 CFEA Cc1cccc(NS(=O)(=O)c2ccccc2C#N)c1 74799 UGXQCKTVISFOSU-UHFFFAOYSA-N 272.329 2.668 30 50 CFEA C=CCn1c(Cc2ccc(OC)c(OC)c2)n[nH]c1=S 6556074 TVRKUJHDBCLRPX-UHFFFAOYSA-N 291.376 2.735 30 50 CFEA O=C(Nc1ccccc1)[C@]12C[C@H]1/C(=N/O)c1ccccc1O2 103856989 FPXPIEZPAXSELW-QLYAPRMXSA-N 294.310 2.655 30 50 CFEA C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCS[C@H]2CCCC[C@@H]21 328588992 ZQHGCEPANFAJOQ-CBBWQLFWSA-N 295.448 2.854 30 50 CFEA N#C[C@@H]1CCCN(C(=O)Nc2ccc3occc(=O)c3c2)C1 426690382 ZTCYPVJZDYBFBA-NSHDSACASA-N 297.314 2.560 30 50 CFEA COc1cn(C)nc1[C@H](C)Nc1ncc(C#N)cc1Cl 952992280 DAZHBKZNNSNVHB-QMMMGPOBSA-N 291.742 2.522 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)c1ccccc1C#N 328614725 WTOUDQBYCRMOOV-UKRRQHHQSA-N 272.348 2.924 30 50 CFEA Cc1ccc(/N=C/c2nc(C#N)c(C#N)nc2C)cc1 2029375 PUIQWDONHHVXJP-GIJQJNRQSA-N 261.288 2.587 30 50 CFEA CC(C)(C)CC(=O)O/N=C(\N)c1ccc(Cl)cc1 4685164 BHIPGJWSNJCBBF-UHFFFAOYSA-N 268.744 2.940 30 50 CFEA C=CCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 20100408 FWSKHDQHCLEYRV-UHFFFAOYSA-N 292.810 2.854 30 50 CFEA C=C(C)COc1cccc(CNCc2ncc[nH]2)c1 63845887 UUFCOTPYGSWSPQ-UHFFFAOYSA-N 257.337 2.654 30 50 CFEA C=CC[C@@]1(C=O)CCCN(C(=O)OC(C)(C)C)C1 317277297 QQUWRAQSJNGPCA-CQSZACIVSA-N 253.342 2.779 30 50 CFEA Cc1cc(Br)cc(C(=O)N[C@@H](C)CC#N)c1 124251318 AULXBHNUQRPWTA-VIFPVBQESA-N 281.153 2.790 30 50 CFEA OC1=C/C(=N\c2ccc(Oc3ccccc3)nc2)CN1 1848443891 OCYVHGXVBUSBNN-LDADJPATSA-N 267.288 2.949 30 50 CFEA CC(C)c1cccc(OCC#CCN2CCOCC2)c1 12383080 RPVIECXRZSJPGN-UHFFFAOYSA-N 273.376 2.524 30 50 CFEA C[C@@H]1c2ccccc2CCN1c1ccc(C#N)c(N)n1 571656557 CZKWAFWMVBCGIV-LLVKDONJSA-N 264.332 2.659 30 50 CFEA CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1 4143843 WTMJZOIYKMQECG-CYBMUJFWSA-N 285.343 2.696 30 50 CFEA N#Cc1ccc(CS(=O)(=O)Nc2ccccc2)cc1 21813147 WDPGAIBOENDKQC-UHFFFAOYSA-N 272.329 2.500 30 50 CFEA CC[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 252498087 OUNXDNQANPREGP-JTNHKYCSSA-N 262.378 2.969 30 50 CFEA CN(C)[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 72165094 HFTQYKWDTKBUIG-OAHLLOKOSA-N 286.379 2.506 30 50 CFEA C=CC[C@@]1(CO)CCCN(C(=O)Cc2ccccc2C)C1 91713437 LRQHOZIRDUOHRP-GOSISDBHSA-N 287.403 2.715 30 50 CFEA CN(CC1CCC1)C(=O)c1ccc(C#CC(C)(C)O)cc1 1506429645 WEWQMRDVVBCFCX-UHFFFAOYSA-N 285.387 2.681 30 50 CFEA Cc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)s1 271349 FLSINUYOMQPVRK-OVCLIPMQSA-N 270.313 2.687 30 50 CFEA N#Cc1cc(N2CCC[C@H]2CCc2ccccn2)ccn1 1616032841 XIMUQJZDRRJELY-INIZCTEOSA-N 278.359 2.950 30 50 CFEA Cc1nccc([C@H]2CCCN(c3ncc(C#N)cc3F)C2)n1 591139946 QJETUSDKRBRQQJ-ZDUSSCGKSA-N 297.337 2.575 30 50 CFEA Cc1cc(F)ncc1-c1cn(-c2ccc(C#N)cc2)nn1 2325818287 JJBIDKMGLSNCIK-UHFFFAOYSA-N 279.278 2.649 30 50 CFEA N#CCCn1nc(-c2ccccc2)c2c(c1=O)CCCC2 6341025 WJQRMQDXQJUFKH-UHFFFAOYSA-N 279.343 2.703 30 50 CFEA CC1(C)OB(c2ccc3[nH]nc(C4CC4)c3c2)OC1(C)C 170007331 NCAQNXMJUUDQGU-UHFFFAOYSA-N 284.168 2.740 30 50 CFEA C=CCC(O)(CC=C)CNC[C@@H]1CCCN2CCCC[C@H]12 63855510 CFPCVYYMBQNEIU-DLBZAZTESA-N 292.467 2.724 30 50 CFEA COc1ccc([C@H](C#N)c2ccc(Cl)nn2)cc1 169376 BNXJYNKMIAFMGY-NSHDSACASA-N 259.696 2.794 30 50 CFEA C/N=C(/O)[C@@H]1CCC[C@@H]1N[C@H]1[C@H]2CCO[C@H]2C12CCCC2 330271439 VYDMJJAZEDLIKH-NIFZNCRKSA-N 292.423 2.679 30 50 CFEA N#Cc1cc(Br)ccc1N1CCCC1 82046452 UJHOFSPIVIOCGB-UHFFFAOYSA-N 251.127 2.921 30 50 CFEA N#Cc1cccc(S(=O)(=O)Nc2noc3ccccc23)c1 170619592 VZGBTYVAQGVUKD-UHFFFAOYSA-N 299.311 2.500 30 50 CFEA C/C(=C\C(=O)[C@H](C#N)C(=O)NC(C)C)c1ccccc1C 221770376 YUYAVZOQZAQGKQ-GLNPCMGASA-N 284.359 2.632 30 50 CFEA Cc1nnc(CN(C)c2nc3ccccc3c(C)c2C#N)o1 596444221 OHDKQQLEDDNNTO-UHFFFAOYSA-N 293.330 2.743 30 50 CFEA C=CCN(Cc1ccccc1C)C(=O)COCCC 1506404402 DBVUOODWVBWGJY-UHFFFAOYSA-N 261.365 2.936 30 50 CFEA COc1cc(CC#N)c([N+](=O)[O-])cc1C(F)(F)F 34459459 IANAREFPKLOIAF-UHFFFAOYSA-N 260.171 2.688 30 50 CFEA in-vitro C=CCN1CCN(C(=O)c2ccc(CCCC)cc2)CC1 13323635 HXQKMRZVWIPYQH-UHFFFAOYSA-N 286.419 2.973 30 50 CFEA Cc1ccc(C(=O)N[C@]2(C#N)CC2(C)C)c2c1CCC2 333080566 LZJNQDKGLAIDAX-KRWDZBQOSA-N 268.360 2.906 30 50 CFEA Cc1ccn(CC(=O)c2ccc(Cl)s2)c(=O)c1C#N 163826355 UANQLCIWCAQWBL-UHFFFAOYSA-N 292.747 2.626 30 50 CFEA C=CCNC(=O)COc1cc(C)c(Cl)c(C)c1 1808070 HUMVYTVNXMBLGM-UHFFFAOYSA-N 253.729 2.638 30 50 CFEA C=CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4775478 VAENRUUFBJDVQX-UHFFFAOYSA-N 255.661 2.556 30 50 CFEA C=CCN(Cc1ccc(SC)cc1)C(=O)[C@@H]1CCOC1 55134171 BLIPBUIQXMCINT-CQSZACIVSA-N 291.416 2.960 30 50 CFEA CC(=O)c1ccc(/C(O)=N/[C@@H]2CCOC(C)(C)C2)cc1O 331249863 XZTQLCUEAHBIAS-GFCCVEGCSA-N 291.347 2.857 30 50 CFEA N#Cc1cc2c(nc1N1CC(c3ccncc3)C1)CCCC2 71774796 UYYKHOSUKCLKHG-UHFFFAOYSA-N 290.370 2.831 30 50 CFEA O=C(O)CCCCCCC#CCO[C@@H]1CCCCO1 43199401 DJSRWOJODMLFNR-HNNXBMFYSA-N 268.353 2.958 30 50 CFEA N#C[C@@H]1CCCN(C(=O)NCCc2c[nH]c3ccccc23)C1 426707171 JQMRYZRMMMPEJG-ZDUSSCGKSA-N 296.374 2.656 30 50 CFEA C=CC[C@@H](CC)NC(=O)Nc1nc(SC)ns1 281213829 AZFKVIRXTOXBET-SSDOTTSWSA-N 272.399 2.736 30 50 CFEA C[C@H]1OCCC[C@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2 191942201 RWGLWTKCBIFMTL-BXUZGUMPSA-N 299.374 2.586 30 50 CFEA C=CCNC(=O)[C@H]1CC(Cc2cccc3ccccc23)=NO1 12327984 TUKPYECPCVJVBT-QGZVFWFLSA-N 294.354 2.829 30 50 CFEA Cc1ccccc1[C@H]1CCCN1c1cnc(C#N)cn1 133199910 COULTLIPRSTODB-OAHLLOKOSA-N 264.332 2.998 30 50 CFEA Cc1nnc(SCC(=O)Nc2sccc2C#N)s1 3339197 JLDVUTNPBSCLNE-UHFFFAOYSA-N 296.402 2.511 30 50 CFEA N#Cc1c(Nc2ccc(Br)cc2)cc[nH]c1=O 108355970 JINXEXFVPMWMRS-UHFFFAOYSA-N 290.120 2.753 30 50 CFEA N#Cc1ccc(O)c(-n2ccnc2-c2ccco2)c1 67688418 MQSKCAURBZPOBA-UHFFFAOYSA-N 251.245 2.710 30 50 CFEA C[C@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CCCCO1 151615347 XYVZQYQJFYEEAU-NVXWUHKLSA-N 286.375 2.587 30 50 CFEA N#C[C@H]1CCCN(C(=O)Nc2ccc3occc(=O)c3c2)C1 426690381 ZTCYPVJZDYBFBA-LLVKDONJSA-N 297.314 2.560 30 50 CFEA C=C(C)[C@@H]1OCCC[C@H]1C(=O)NO[C@@H](C)c1ccncc1 1875298059 NJKLSBWCJBGHER-CFVMTHIKSA-N 290.363 2.562 30 50 CFEA N#Cc1ccc(CNC(=O)NC2Cc3ccccc3C2)cc1 186496133 XQMWKUPDLJQXFV-UHFFFAOYSA-N 291.354 2.525 30 50 CFEA C#C[C@](C)(CC)NC(=O)Cc1csc(-c2ccccn2)n1 408522060 CJVSMUBSKPJIET-MRXNPFEDSA-N 299.399 2.666 30 50 CFEA C=CCNCC[C@@H]1CCC(=O)N1CCc1ccc(F)cc1 11815513 CHUAWRIXPJEYGE-INIZCTEOSA-N 290.382 2.525 30 50 CFEA C[C@H](NC[C@H](O)Cc1ccccc1)c1ccc(C#N)cc1 242191405 XFHURGURVKPPGL-KBXCAEBGSA-N 280.371 2.812 30 50 CFEA Cc1ccc(C2=Cc3cc(C)c(C#N)c(=O)n3C2)cc1 4580387 GNQORNVWMOVXQD-UHFFFAOYSA-N 262.312 2.891 30 50 CFEA CC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 6761626 GABJWTXMMJYRHL-GFCCVEGCSA-N 264.712 2.557 30 50 CFEA COCc1cc(CN2CCC(C)(C#N)CC2)ccc1OC 215967840 CPLRDTYZQDFVOC-UHFFFAOYSA-N 288.391 2.967 30 50 CFEA CO/N=C1\C[C@@H]2[C@@H]3C/C(=N\OC)[C@H]4[C@@H]3[C@H]3[C@H]2[C@H]1[C@H]1C=C[C@@H]4[C@@H]13 257346506 NEQASLFCPZMGNJ-ZBVGTDSRSA-N 298.386 2.571 30 50 CFEA CN1CCC[C@H](CN2CCC(C#N)(c3ccccc3)CC2)C1 299789811 ALEJEIQIOZAHFW-KRWDZBQOSA-N 297.446 2.886 30 50 CFEA CCOc1ccc(C#N)cc1N[C@@H]1CCO[C@@H](C)C1 272665632 PLLWJFLIPMDKEM-WCQYABFASA-N 260.337 2.936 30 50 CFEA C=C(C)C[C@@H](C)C(=O)Nc1cc(C)ccc1C(N)=O 585090767 GIUVLEIGRQYTPP-LLVKDONJSA-N 260.337 2.635 30 50 CFEA C=CCN1C(=O)/C(=N/Nc2ccccc2O)c2ccccc21 207766655 AWQSKLYWVWEYKB-KNTRCKAVSA-N 293.326 2.741 30 50 CFEA N#Cc1cccc(N[C@H]2CCN(C(=O)C3CCCCC3)C2)n1 301637661 FNRYJDJYCJZBHB-HNNXBMFYSA-N 298.390 2.546 30 50 CFEA CC1(C)C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CO1 597862734 ACZSXWZZAPGKMX-CQSZACIVSA-N 284.359 2.539 30 50 CFEA COc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1 46710 OGSGMPCTCSELMI-XDJHFCHBSA-N 295.386 2.851 30 50 CFEA CN(C)/C=C/c1c(C#N)cnc2c(-c3ccccc3)cnn12 1848442625 CGSYISIDMQEQHL-CMDGGOBGSA-N 289.342 2.800 30 50 CFEA C=CCNCCOc1ccc(C)cc1Br 3461051 CBMJZOQWQKVQNC-UHFFFAOYSA-N 270.170 2.912 30 50 CFEA C#CCCC1(CCC(=O)N2CCC[C@@H](OC(C)C)C2)N=N1 952882097 LIYGEACTUNNQGZ-CQSZACIVSA-N 291.395 2.758 30 50 CFEA C#CCCC1(CCC(=O)N2CCC(CF)CC2)N=N1 952880746 HTMPCKFLFPMCQN-UHFFFAOYSA-N 265.332 2.550 30 50 CFEA CC(C)[C@H](O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169936376 XEDOTLRWWKUYQW-AWEZNQCLSA-N 276.185 2.675 30 50 CFEA in-vitro CCN(CC)CC#CC1(OCCC#N)CCCCC1 2931853 JJPFTBFGOZYOKN-UHFFFAOYSA-N 262.397 2.965 30 50 CFEA O=C1C[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 4488899 HYNXPNQARZFSFV-JTQLQIEISA-N 275.735 2.951 30 50 CFEA C=CCc1cc(C)c(OCCN2CCN(C)CC2)c(C)c1 20639699 MUYWXXXPQVJMBZ-UHFFFAOYSA-N 288.435 2.658 30 50 CFEA COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1O 49896748 FFLVUGPZBIAKKR-UHFFFAOYSA-N 295.342 2.795 30 50 CFEA CN(C)/C=C/C(=O)c1ccc(Br)cc1 142367 IGZLESKZUATMSD-BQYQJAHWSA-N 254.127 2.707 30 50 CFEA Oc1cccc(/C=N/Nc2nncc(-c3ccccc3)n2)c1 13118839 OFXOHCLOABYIHQ-LICLKQGHSA-N 291.314 2.690 30 50 CFEA CCc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1 16162092 LZZMANSKGWMVEK-UHFFFAOYSA-N 252.317 2.888 30 50 CFEA Cc1nnc(C)n1/N=C/c1c(O)ccc2ccccc12 228461 UWEMYRIHIRTTMO-CXUHLZMHSA-N 266.304 2.636 30 50 CFEA Cc1cc(=N[C@H]2CCCc3c2c(C)nn3C)[nH]c(C)c1C#N 2356160295 LPJXOIOLWDFFRR-AWEZNQCLSA-N 295.390 2.523 30 50 CFEA CC(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C=O 170007536 IVWUTNJPPACNLV-UHFFFAOYSA-N 290.168 2.586 30 50 CFEA CO[C@]1(C)CCCN(c2c(C#N)cccc2C#N)CC1 373685693 VACROEUNDDPFSH-MRXNPFEDSA-N 269.348 2.825 30 50 CFEA CN(C)Cc1ccc(CN(C)c2cccc(C#N)n2)cc1 670472110 DSPOIQQOTLUXRG-UHFFFAOYSA-N 280.375 2.651 30 50 CFEA N#Cc1cnnc(NC2CCN(CC3=CCCCC3)CC2)c1 1616038497 LQTBNMAVUDMSHN-UHFFFAOYSA-N 297.406 2.725 30 50 CFEA O=C(C[n+]1cccc2ccccc21)c1ccccc1[N+](=O)[O-] 5739852 GBCVCDXFNDBEBL-UHFFFAOYSA-N 293.302 2.918 30 50 CFEA CC[C@@H](C)n1ncc(N/C(O)=N/C2CCOCC2)c1C 331161624 XALUMOURVBPSFB-SNVBAGLBSA-N 280.372 2.667 30 50 CFEA C=CCNCC[C@@H]1CCC(=O)N1[C@@H](C)c1cccs1 14974366 WVCFSNJWSIGKSH-STQMWFEESA-N 278.421 2.966 30 50 CFEA C=CCNC(=S)Nc1sc2c(c1C#N)CCCC2 2867335 DJZYHRCJRJQUCW-UHFFFAOYSA-N 277.418 2.971 30 50 CFEA O=C(O)Cc1ccc(N/C(S)=N/Cc2ccco2)cc1 8684891 ZSVCRMPLPJLEFP-UHFFFAOYSA-N 290.344 2.805 30 50 CFEA O=C(/C=C/c1ccccc1)C1C(=O)c2ccccc2C1=O 100866724 YXFGAICZGGUTCL-ZHACJKMWSA-N 276.291 2.964 30 50 CFEA CC1(C)CCC[C@H](N/C(O)=N/CC2=CCCOC2)C1 329569442 UIGCEETWFXHXKN-ZDUSSCGKSA-N 266.385 2.806 30 50 CFEA N#Cc1ccsc1NC(=O)c1cccc([N+](=O)[O-])c1 1053353 PETLUEQEPHLPHR-UHFFFAOYSA-N 273.273 2.780 30 50 CFEA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1cccc(C#N)c1 2505718 QSPUAVCHVGCBGN-LBPRGKRZSA-N 290.319 2.599 30 50 CFEA C=CCOc1cccc(C(=O)NCc2ccncc2)c1 4865948 RUOGYFSUUJXBCG-UHFFFAOYSA-N 268.316 2.576 30 50 CFEA C=C(C)COc1cccc(CNCCc2c[nH]cn2)c1 55270640 VGFSGNPNZQBSFD-UHFFFAOYSA-N 271.364 2.697 30 50 CFEA CCCCCCCC(=O)[C@H]1C(=O)C=C(C)OC1=O 102990878 PDDXPXTUPUYVPJ-ZDUSSCGKSA-N 252.310 2.562 30 50 CFEA CCn1cc(-c2cc(C(C)C)nc(N)c2C#N)c(C)n1 71479624 KQOZTNGSBRMBGA-UHFFFAOYSA-N 269.352 2.851 30 50 CFEA CC(C)(C)c1ccc2c(S(N)(=O)=O)c(C#N)sc2c1 725344135 ILZJJOWLLJVQHW-UHFFFAOYSA-N 294.401 2.718 30 50 CFEA CC#CC(=O)NCc1c[nH]c2ccc(OC(C)C)cc12 1875366094 LJIZSVAIDGKVEL-UHFFFAOYSA-N 270.332 2.595 30 50 CFEA C[C@H](c1ccccc1)[C@@H]1CN/C(=N/Cc2ccccc2)N1 1775994072 RUEFXRJFISOPHI-PBHICJAKSA-N 279.387 2.908 30 50 CFEA CC(C)(C)OC(=O)N1CC[C@@]2(C=O)CCCC[C@@H]12 1535644945 DENLNXDFUBLANB-BXUZGUMPSA-N 253.342 2.755 30 50 CFEA C[C@]1(c2ccccc2)CN(C(=O)[C@@H](C#N)CC2CC2)CCO1 585079537 LLYLXGXYIAYFPP-CRAIPNDOSA-N 298.386 2.700 30 50 CFEA C=C[C@H](C)CC[C@@H](OC(C)=O)C(C)(C)OC(C)=O 5696617 VMIOCHYFRQSIRR-GXFFZTMASA-N 256.342 2.862 30 50 CFEA O/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1 5738761 GGZFYSSQFBVNDT-LICLKQGHSA-N 264.288 2.742 30 50 CFEA C=CC[C@@]1(CO)CCCN(c2ccc(Cl)cn2)C1 91745219 RXUDRDCBMFEXTB-CQSZACIVSA-N 266.772 2.890 30 50 CFEA Cc1ccc(C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 2289110 DFSBSWWGYBENGS-UHFFFAOYSA-N 281.267 2.546 30 50 CFEA CCOC(=O)[C@](C#N)(CC)[C@@](C)(C#N)c1ccccc1 44124981 KHMZDXPHUGUPOD-JKSUJKDBSA-N 270.332 2.951 30 50 CFEA CC(C)c1ccc(C#N)c(N(C)Cc2noc(C3CC3)n2)n1 826786524 HGZLZFJOGHAYGY-UHFFFAOYSA-N 297.362 2.973 30 50 CFEA C[C@H](N(C)S(=O)(=O)Cc1csc(C#N)c1)C1(C)CC1 585135190 KISFGIXWKNSQMO-JTQLQIEISA-N 298.433 2.570 30 50 CFEA CC[C@@]1(O)CCC[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]21 1704340074 STXPTLOTUXFTEG-FGTMMUONSA-N 284.403 2.931 30 50 CFEA CCc1nc(N)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c1C 19812119 VMUDDKNPJGVJAH-UHFFFAOYSA-N 282.303 2.982 30 50 CFEA CC(=O)O/N=C1/C(=O)c2ccccc2-c2oc(C(C)C)nc21 257540497 QJLVNXVSLJPJMX-LDADJPATSA-N 298.298 2.929 30 50 CFEA Cn1cnnc1[C@@H]1CCCN1c1ccc(C#N)c(Cl)c1 271032437 HNGQVSKCCUNETF-ZDUSSCGKSA-N 287.754 2.682 30 50 CFEA C[C@H]1C[C@H]1NC1CCC(C#N)(c2ccccn2)CC1 2325853316 LITWYBAIEWXVRT-PGOFDVKTSA-N 255.365 2.784 30 50 CFEA CSC1CCC(CN=C2NC[C@H]3CC[C@@H](C)CN23)CC1 2325863243 BIYKKPJOPIRKDK-FEWQNLEASA-N 295.496 2.968 30 50 CFEA CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H]1CO1 2579350 NVPOUMXZERMIJK-STQMWFEESA-N 263.337 2.521 30 50 CFEA in-vitro C=C(C)C(=O)OCC(F)(F)[C@@H](F)C(F)(F)F 4262389 DFVPUWGVOPDJTC-ZCFIWIBFSA-N 250.138 2.641 30 50 CFEA C=CCn1cc(CN2CCC[C@H]2CN(CC)CC)c(C)n1 55168776 LZLKZQDRMZLTSD-KRWDZBQOSA-N 290.455 2.684 30 50 CFEA CCC(C#CCN1CCCCC1)(CC)OCCC#N 2931813 HXAYFXFRNWLRKN-UHFFFAOYSA-N 262.397 2.965 30 50 CFEA C[C@H]1CCCC[C@@H]1C(=O)N1CC(=O)Nc2ccc(C#N)cc21 332306501 OIGDSGDCUFCSOD-AAEUAGOBSA-N 297.358 2.670 30 50 CFEA Cc1cc(C(F)(F)F)ncc1B1OC(C)(C)C(C)(C)O1 222883480 NHTGGJIAIAPGHR-UHFFFAOYSA-N 287.090 2.708 30 50 CFEA CC[C@@]1(CO)CCCN(Cc2ccc(C#N)cc2)C1 91745618 QZAFAGUFWSVRPW-MRXNPFEDSA-N 258.365 2.543 30 50 CFEA C[C@@H]1C[C@@H](NC(=O)C2(C#N)CCC2)c2ccccc2O1 295457006 LNOWUZIMDHUNMH-DGCLKSJQSA-N 270.332 2.709 30 50 CFEA Cc1nc(C#N)c(NC[C@H](C)N2C[C@@H](C)C[C@H](C)C2)o1 826802939 RIQXBPIJTDYXDB-SRVKXCTJSA-N 276.384 2.633 30 50 CFEA O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CO1 1875372818 NEAVCSMEUMIBTP-OAHLLOKOSA-N 287.290 2.633 30 50 CFEA C=C1CN(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)C1 952880747 XELNENXIQVMPSK-SNVBAGLBSA-N 282.290 2.930 30 50 CFEA C=C(C)C[C@H](C)C(=O)NCC12CCCN(CCC1)C2 1875268819 YOIGFKNRMRWEIS-AWEZNQCLSA-N 264.413 2.581 30 50 CFEA Cc1nn([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1C#N 239654170 BMUHBDDVGHGWHY-VIFPVBQESA-N 290.273 2.541 30 50 CFEA N#CC1(c2nc(-c3ccc(CCO)cc3)no2)CCCCC1 585120645 ZNTVWTRKMHZNSZ-UHFFFAOYSA-N 297.358 2.997 30 50 CFEA CCc1ccc(C=NN2CCN(c3ccccn3)CC2)cc1 245238177 FHKPGTROQGHUSW-UHFFFAOYSA-N 294.402 2.800 30 50 CFEA C[C@H](NCC1(C#N)CCC1)c1cccc(N2CCOCC2)c1 585134817 KTBIAIRYODWDFJ-HNNXBMFYSA-N 299.418 2.868 30 50 CFEA CC(C)[C@@H](O)C1(CNc2ccc(C#N)cc2F)CC1 271903911 ZVCFWWUWZLXAHW-CQSZACIVSA-N 262.328 2.906 30 50 CFEA Cc1cc(C)n2nc(SCC3(C#N)CCC3)nc2n1 333755463 YMBPNOYCANUTQO-UHFFFAOYSA-N 273.365 2.527 30 50 CFEA COCCSC1=C(C)C(=O)c2ccccc2C1=O 34022064 JTCRCMIBIBLUOK-UHFFFAOYSA-N 262.330 2.719 30 50 CFEA in-vitro N#CC1CN(C(=O)[C@H](c2ccccc2)C2CCCC2)C1 1857696009 IBAGVLDMZVAKQJ-MRXNPFEDSA-N 268.360 2.942 30 50 CFEA CCCCCCCCCC/C=C/[C@H](O)[C@@H](N)CO 64858881 KWQIYZIHZCLRSR-NOQIOLJMSA-N 257.418 2.754 30 50 CFEA in-vitro CCCC(=O)C1=C(Cl)CC(C)(C)[C@H](C(=O)OC)C1=O 3071554 WXNYPRWIVGVGPR-NSHDSACASA-N 286.755 2.637 30 50 CFEA C=CCNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 3641092 NOAMUOWEAUWGGQ-UHFFFAOYSA-N 288.372 2.700 30 50 CFEA C#CCCOC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4759211 AQEOOBLYTZWQME-UHFFFAOYSA-N 268.656 2.820 30 50 CFEA COc1cc(N)c(C#N)cc1OCc1ccccc1 66351910 QQMNPRIKROPMKZ-UHFFFAOYSA-N 254.289 2.728 30 50 CFEA CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=S)NC1CC1 230203957 RSKGPAAQGJHTSB-JNHRFPILSA-N 263.410 2.591 30 50 CFEA CN1C[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CCC1=O 125171813 IKYXEBKVLFAGLC-SNVBAGLBSA-N 297.280 2.610 30 50 CFEA C[C@H]1CCN(C(=O)/C=C/c2cccc(C#N)c2)[C@H]1C 178148344 NKMLRVOMFZJKBE-XKZLPGLHSA-N 254.333 2.828 30 50 CFEA N#Cc1ccc(CN2CC[C@H](n3cnc4c3CCCC4)C2)o1 299740835 BZSJURVNZVOCJA-ZDUSSCGKSA-N 296.374 2.674 30 50 CFEA N#Cc1ccccc1C(=O)NCCCOC1CCCC1 534592075 VUBFIYDEKIDGQN-UHFFFAOYSA-N 272.348 2.637 30 50 CFEA C#CCCC1(CCC(=O)N2CCC(F)(F)CC2)N=N1 952883158 RNCACRCZIJVBRS-UHFFFAOYSA-N 269.295 2.600 30 50 CFEA C=C(C)[C@H](NC(=O)c1cc[nH]n1)c1ccc(F)c(F)c1 186058642 FXKPWKKNRJXBJB-ZDUSSCGKSA-N 277.274 2.735 30 50 CFEA C=C(C)CN(CC)C(=O)N[C@@H](C)c1ccncc1OC 187487052 NKJAHHWMFHBYHJ-LBPRGKRZSA-N 277.368 2.759 30 50 CFEA CC1(C)OB(c2ccc(C3CCC3)nc2)OC1(C)C 198095344 ZSEDOUUYDZGFKX-UHFFFAOYSA-N 259.158 2.648 30 50 CFEA Fc1ccc(/C=N\N2CCN(c3ccccc3)CC2)cc1 12376690 XCIOXAPXAYEYFR-RGEXLXHISA-N 283.350 2.982 30 50 CFEA C[C@]1(C#N)CCCN(CCOCc2ccccc2)C1 595427970 VMRFQLNSNAJTHZ-MRXNPFEDSA-N 258.365 2.829 30 50 CFEA C#CCSc1nnc2c3ccccc3n(CC=C)c2n1 2775866 BXBYRGRBPGKYOZ-UHFFFAOYSA-N 280.356 2.891 30 50 CFEA C=C(C)Cn1c(SCC#N)nc2ccccc2c1=O 2884660 MXDHGZSHTZBWLN-UHFFFAOYSA-N 271.345 2.588 30 50 CFEA C=CCOc1ccc(C(=O)Nc2ccccn2)cc1 2951151 GLBPBESZJQVPDJ-UHFFFAOYSA-N 254.289 2.899 30 50 CFEA C/C(=N\N1CCN(c2ccccc2)CC1)c1ccco1 4892932 WUOUAKZPZMQCKD-SAPNQHFASA-N 269.348 2.826 30 50 CFEA CC1(C)CC(=O)C2=C(C1)O[N+]([O-])=C[C@H]2c1ccccc1 104106176 VPODVHGWVCFMSZ-LBPRGKRZSA-N 271.316 2.940 30 50 CFEA Cc1cc(C(=O)C2CC2)ccc1B1OC(C)(C)C(C)(C)O1 170007335 DXOFHVNGWNJEKA-UHFFFAOYSA-N 286.180 2.887 30 50 CFEA CO[C@@H]1CCC[C@@H]1OC(=O)[C@H]1C[C@@H]1c1cccc(C#N)c1 241684827 QFLWHBZJZXQNQR-QXSJWSMHSA-N 285.343 2.772 30 50 CFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(O)ccc1Cl 290929301 RSDLBPKWJZXIFA-YGRLFVJLSA-N 295.766 2.757 30 50 CFEA CC(C)(C#N)CC(=O)N=[S@@](C)(=O)c1ccc(F)cc1 952880716 WZNZZPGUNZAFNS-IBGZPJMESA-N 282.340 2.749 30 50 CFEA C=CCOn1c(-c2ccccc2)nc2ccccc2c1=O 2964276 OUQGLBRAFVQQMU-UHFFFAOYSA-N 278.311 2.678 30 50 CFEA Cc1cccc(/C(N)=N/OC(=O)c2ccc(F)cc2)c1 4907058 CPDHMMUOLBFROW-UHFFFAOYSA-N 272.279 2.611 30 50 CFEA COC(=O)c1ccc(COc2ccc(C#N)cc2)cc1 1079655 SOWKKDYEUHXGSH-UHFFFAOYSA-N 267.284 2.924 30 50 CFEA Cc1cc(O)c(/C=N/Nc2ccc(Cl)cc2)c(=O)o1 4084689 WESUYTAMNDDMTJ-VIZOYTHASA-N 278.695 2.753 30 50 CFEA Cn1nc(CN2CCC[C@H](C#N)C2)c2c(Cl)cccc21 215583894 PUFYGAPHIXWTKK-LLVKDONJSA-N 288.782 2.962 30 50 CFEA Cc1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1C 198063318 RTMKAJPLIYDEQN-UHFFFAOYSA-N 271.169 2.786 30 50 CFEA CCc1nc(C#N)cc(N2CCOc3ccccc3[C@H]2C)n1 585098369 PWLSLGSXWVIVBE-GFCCVEGCSA-N 294.358 2.871 30 50 CFEA CC1(C)OB(c2c(F)c(F)cc(F)c2F)OC1(C)C 199594001 MSEFKALUUBYZOK-UHFFFAOYSA-N 276.038 2.542 30 50 CFEA CCCC[C@@H]1CN(c2nccnc2C#N)C[C@H](C2CC2)O1 1857725296 OWFOTHQZXWOBMD-UKRRQHHQSA-N 286.379 2.522 30 50 CFEA CCC[C@H](C)NC(=O)[C@H]1CCCN(CC2(CC#N)CC2)C1 585116998 ONLXKGDMQAMUDU-GJZGRUSLSA-N 291.439 2.697 30 50 CFEA C=CCOc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 4842570 BKYJZCLSXTZDKB-CHWSQXEVSA-N 275.348 2.501 30 50 CFEA N#Cc1nc(/C=C/c2cccs2)oc1N1CCOCC1 4857335 BSWQWVJMQYVRLF-ONEGZZNKSA-N 287.344 2.615 30 50 CFEA COc1ccc(C(=O)[C@@H]2O[C@@H]2c2ccc3c(c2)OCO3)cc1 6793515 DHDKPIIJDRSEOK-SJORKVTESA-N 298.294 2.747 30 50 CFEA OC(=Nc1cnc2c(c1)CCCC2)[C@@H]1C[C@@]12CCOC2 329671903 SHUGASPRPJRMFJ-XJKSGUPXSA-N 272.348 2.975 30 50 CFEA C=C(C)COCCN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 194113963 YRCWFFSPJIRMJB-RBSFLKMASA-N 265.397 2.516 30 50 CFEA C=CCOc1ccc(CNC[C@@H]2CCCO2)cc1OC 2619088 KSFVIUQQHDLFHD-AWEZNQCLSA-N 277.364 2.529 30 50 CFEA in-vitro CC(O)=Nc1ccn([C@H]2CCN(C(=O)c3ccccc3)C2)n1 328613446 RZYCCDIPSHZICE-AWEZNQCLSA-N 298.346 2.578 30 50 CFEA O=[N+]([O-])c1ccc(Cl)cc1N/N=C1\CN2CCC1CC2 55142151 JNQKZZZMNICXNC-FOWTUZBSSA-N 294.742 2.742 30 50 CFEA C=CCN(C(=O)c1cn2c3c(cccc3c1=O)CC2)C(C)C 67846757 YWPSAPAVWUFBHW-UHFFFAOYSA-N 296.370 2.594 30 50 CFEA COc1ccc(Cn2c(C)c(C)c(C#N)c2N)cc1 169221 AZRNGFJHWODADQ-UHFFFAOYSA-N 255.321 2.616 30 50 CFEA C=CCC(O)(CC=C)CNC(=O)CC1CCCC1 670444040 MEEKEFMEZSUOQZ-UHFFFAOYSA-N 251.370 2.566 30 50 CFEA C#Cc1ccc(OCCCCCC[C@@]2(C(=O)O)CO2)cc1 1875387786 XAVMTKQEGXBTOF-KRWDZBQOSA-N 288.343 2.851 30 50 CFEA Cc1nccn1CCCSc1cccnc1C#N 408523610 UDJGZJMZPPEUGK-UHFFFAOYSA-N 258.350 2.641 30 50 CFEA N#CC1(c2ccc(CN3CC[C@](F)(C#N)C3)cc2)CC1 597110080 JKHZNWYWKXCJSI-INIZCTEOSA-N 269.323 2.679 30 50 CFEA C=C(C)[C@@H]1CC=C(CN2CCN(c3ncccn3)CC2)CC1 12379171 XTNULXYPACVNRD-QGZVFWFLSA-N 298.434 2.901 30 50 CFEA Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1cnc(C#N)cn1 130002995 GIIHVLUDTNDJOX-SNVBAGLBSA-N 284.367 2.781 30 50 CFEA C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)NC)cc1 184988905 ILADVHAWVXTMRV-NSHDSACASA-N 260.337 2.587 30 50 CFEA CC1(C)OB(c2cc3ncccc3s2)OC1(C)C 1772716332 IMUUKQFRJVCXEH-UHFFFAOYSA-N 261.155 2.596 30 50 CFEA N#Cc1ccc(F)c(CN[C@]2(CO)CCc3ccccc32)c1 136188758 DJXJVBZFDZTILW-SFHVURJKSA-N 296.345 2.621 30 50 CFEA N#Cc1c(N)c(C(=O)c2ccccc2)n2c1CCCC2 227372 YQXZMOQYAMECQX-UHFFFAOYSA-N 265.316 2.509 30 50 CFEA COc1ccc(CCNC(=O)c2ccc(C#N)cc2)cc1 2584148 DRGQOPWSUFOEFX-UHFFFAOYSA-N 280.327 2.539 30 50 CFEA CC[C@H](C)N(C(=O)c1cc(C#N)cn1C)[C@H](C)CC 119593545 IEJAKQWYAHQCGJ-TXEJJXNPSA-N 261.369 2.936 30 50 CFEA O=C[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 34461098 HZDPJHOWPIVWMR-MRXNPFEDSA-N 283.327 2.723 30 50 CFEA CC#CCOc1ccc(CNCc2cccnc2)cc1 299756114 CARAUWFLJHJOKB-UHFFFAOYSA-N 266.344 2.774 30 50 CFEA N#C/C(=N\O)C(=O)Nc1ccc(-c2ccccc2)cc1 66100252 YFGFEIDPJVPFOM-NBVRZTHBSA-N 265.272 2.646 30 50 CFEA CC(C)(Oc1ccc(Cl)cc1)/C(O)=N/c1ncn[nH]1 18148705 SJIUJMKHDHFFLI-UHFFFAOYSA-N 280.715 2.904 30 50 CFEA N#CCN(C(=O)c1ccoc1C1CC1)c1ccccn1 585125201 KCOOLIFSBBKRFW-UHFFFAOYSA-N 267.288 2.722 30 50 CFEA CC1(C)OB(c2cccc(C(F)F)c2)OC1(C)C 196767218 JELHVFORSVSSJD-UHFFFAOYSA-N 254.085 2.923 30 50 CFEA CCC(C)(C)C/N=C(/O)N[C@@H]1CCc2nc(C)ncc2C1 328588489 QMDIRTKQWGNJCW-CYBMUJFWSA-N 290.411 2.582 30 50 CFEA CCNC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 122057990 HJSNNVGIEJOZTE-NSHDSACASA-N 271.345 2.553 30 50 CFEA Cc1ccccc1[C@H](C(=O)N1CCC(C)(C#N)CC1)N(C)C 217624258 CDAOJYUTFZBEQL-MRXNPFEDSA-N 299.418 2.750 30 50 CFEA C=CC[C@@H](CO)CNc1nccc(-c2ccc(OC)cc2)n1 450419467 IAWZHZABDVGDGX-CYBMUJFWSA-N 299.374 2.749 30 50 CFEA Cc1nsc(N[C@@H](C)Cc2c(C)noc2C)c1C#N 287181024 GSYYZPBKLCSMSK-ZETCQYMHSA-N 276.365 2.971 30 50 CFEA COc1ccc2oc(B3OC(C)(C)C(C)(C)O3)cc2c1 299738091 LZOXOTKDJSAOSX-UHFFFAOYSA-N 274.125 2.741 30 50 CFEA OCC#Cc1csc(CN2CCC[C@H]2c2cccnc2)c1 828644580 GKEHXZFFZRUSMQ-KRWDZBQOSA-N 298.411 2.824 30 50 CFEA CC#CC(=O)N[C@@H](CC1CC1)c1ccc(Cl)cn1 1875379796 WZADIFWIPGJGSZ-ZDUSSCGKSA-N 262.740 2.716 30 50 CFEA Cc1ccc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1 169747246 KOPSOJMEXFLBRP-UHFFFAOYSA-N 269.153 2.842 30 50 CFEA CCOC(=O)/C(Cl)=N/Nc1ccccc1Cl 8385660 LTPRVINQSYJPIR-ZROIWOOFSA-N 261.108 2.867 30 50 CFEA O=C1C(F)=C(F)C(=O)c2c(F)c(F)c(F)c(F)c21 262402 ODOWBQJUWIEMDS-UHFFFAOYSA-N 266.096 2.773 30 50 CFEA Cc1cc(N(C)CCC[C@H]2CCCO2)nc(C)c1C#N 2356151404 HCXJESOGFPBVPZ-AWEZNQCLSA-N 273.380 2.966 30 50 CFEA CC1(C)CC(=O)C(=CNCc2ccccc2)C(=O)C1 100244610 GFGOESOZSMAGLO-UHFFFAOYSA-N 257.333 2.618 30 50 CFEA Cc1cc(CN)cc(N=C(O)c2cn(C)nc2C(C)C)c1 328599148 QBLADRUUPJNZHS-UHFFFAOYSA-N 286.379 2.947 30 50 CFEA CCc1nc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)co1 123603453 MUPHFNWBHCLQKT-LBPRGKRZSA-N 297.314 2.507 30 50 CFEA CO[C@@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 378633273 MJDKINMZPGMFLD-ROJDOSBLSA-N 284.359 2.599 30 50 CFEA Cc1cc(C)c(C#N)c(N(C)Cc2noc(CC(C)C)n2)n1 670443528 RNUGLMYZIQBGMA-UHFFFAOYSA-N 299.378 2.788 30 50 CFEA CSC1=N/C(=C\c2ccc(OC(C)=O)cc2)C(=O)S1 458043 TWQHFZBVRACGIA-XFFZJAGNSA-N 293.369 2.945 30 50 CFEA Cc1cc2c(B3OC(C)(C)C(C)(C)O3)cccc2[nH]1 200576952 VJBYXNVNDPTRMF-UHFFFAOYSA-N 257.142 2.776 30 50 CFEA CN1Cc2ccc(-c3cnc4ccc(C#N)cn34)cc2C1 2325826039 MOTMNJRCOLQXQS-UHFFFAOYSA-N 274.327 2.818 30 50 CFEA Fc1ccc(/C=N/Nc2nccnc2Cl)cc1 4947211 FRCBCJBNYANDPA-FRKPEAEDSA-N 250.664 2.715 30 50 CFEA CCC[C@H](C(=O)N1CCC(C)(C#N)CC1)n1cccc1 584901648 IWILFMHAGAVLJK-CQSZACIVSA-N 273.380 2.982 30 50 CFEA C=CCc1cc(CN(C)CC2(C)COC2)ccc1OC 670453626 SZYFEWPCJYCHEY-UHFFFAOYSA-N 275.392 2.892 30 50 CFEA COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)F 202766987 RWYXWGXJOVLSEM-UHFFFAOYSA-N 284.111 2.932 30 50 CFEA CC1(C)OB(c2coc(-c3ccccc3)n2)OC1(C)C 169810070 JKBXNZMOGRXHJP-UHFFFAOYSA-N 271.125 2.641 30 50 CFEA O=C(O)/C(=N\O)c1ccc(CCc2ccccc2)s1 2468901 ISSVQYBXUSFJPK-SQFISAMPSA-N 275.329 2.796 30 50 CFEA CC1(C)OB(c2cnc3ccc(F)cc3c2)OC1(C)C 203566887 VCMDSNXJEYGKFP-UHFFFAOYSA-N 273.116 2.673 30 50 CFEA C[C@H]1CCCN(c2cccc(-n3cccn3)c2C#N)C1 594539325 ZSRGKQGSRBSUFL-ZDUSSCGKSA-N 266.348 2.980 30 50 CFEA N#CC1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 599967839 AQDWMHLUABNOFA-UHFFFAOYSA-N 288.656 2.954 30 50 CFEA CC1(C)CC(=O)C(CS(=O)(=O)c2ccccc2)=C(O)C1 1400573 RXLFKZKMBHRRGU-UHFFFAOYSA-N 294.372 2.662 30 50 CFEA N#CC1(C(=O)N2CCOc3c(F)cccc3C2)CCCC1 335688923 PIUWTYAQQZVPIX-UHFFFAOYSA-N 288.322 2.631 30 50 CFEA CC(C)[C@H]1C=CCN1C(=O)Nc1cccc(C#N)c1 95517245 HKINVSBLBXVSIZ-CQSZACIVSA-N 255.321 2.987 30 50 CFEA CC#CC(=O)NC[C@@H](Oc1ccccc1)c1ccccc1 1875363249 NABRPPGFGKQWMV-QGZVFWFLSA-N 279.339 2.946 30 50 CFEA C[C@H](CO)N(Cc1ccccc1C#N)C1CCCC1 225570498 HKRWTKXFBJEPPQ-CYBMUJFWSA-N 258.365 2.684 30 50 CFEA Cc1nc(N2CCC[C@@H]2[C@H]2CCCOC2)ccc1C#N 563052889 GLGZKRNNGJMGLL-LSDHHAIUSA-N 271.364 2.657 30 50 CFEA C=CCOc1cccc(C(=O)Nc2ccccc2C(N)=O)c1 4843098 LPAZPGCCWKYTDO-UHFFFAOYSA-N 296.326 2.603 30 50 CFEA CCCNC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O 4955843 IOMUUZTZKRLIOJ-UHFFFAOYSA-N 298.386 2.763 30 50 CFEA Cc1nc2ccc(Cl)cn2c1C(=O)/C=C/N(C)C 4024435 AZVSBYRFCSOXMX-VOTSOKGWSA-N 263.728 2.554 30 50 CFEA N#Cc1c(N)nc2c(c1-c1ccoc1)CCc1[nH]ccc1-2 71747893 RQEADGZBBRUACD-UHFFFAOYSA-N 276.299 2.889 30 50 CFEA CCC[C@@H]1O[C@@]23CCCC[C@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3 245325665 GXTWAXDCKTXFAL-YXAMBPQSSA-N 298.346 2.623 30 50 CFEA CC1(C)[C@@H]2C[C@@H]1CC1=C2[C@H]2C[C@H]1[C@@H]1C(=O)C=CC(=O)[C@H]21 257356436 IAAHNVXYNAOIFL-PVFHJWTCSA-N 268.356 2.939 30 50 CFEA COC(=O)c1ccc(NC(=O)N[C@@H](C)CC#N)cc1Cl 187241515 QULNGDJAQJQSCL-QMMMGPOBSA-N 295.726 2.550 30 50 CFEA CCC[C@@H](C)c1nnc(/N=C(\O)C(=O)OCC)s1 2865459 PJHIHYPRJIRBOJ-SSDOTTSWSA-N 271.342 2.593 30 50 CFEA N#CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 37220 DCAPATHRANATHM-UHFFFAOYSA-N 281.271 2.913 30 50 CFEA O=C(O)c1cccc(/N=C/c2ccccc2O)c1O 4726829 ZBULTGVWOUWFMA-OVCLIPMQSA-N 257.245 2.547 30 50 CFEA CC1(C)CC(=O)C=C(Nc2ccc(C(=O)O)c(O)c2)C1 530412 QWTVPNFWXLCSBL-UHFFFAOYSA-N 275.304 2.775 30 50 CFEA N#CCc1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1 4344019 BBHMKDTZUOFHFA-UHFFFAOYSA-N 252.199 2.557 30 50 CFEA CCc1n[nH]c(=S)n1/N=C/c1cc(Cl)ccc1O 6519859 NEOAOSQNNJQWIX-AWNIVKPZSA-N 282.756 2.744 30 50 CFEA C[C@H]1/C=C\C=C/[C@@H]2[C@H](/C=C\1)C(C#N)(C#N)C2(C#N)C#N 101137910 VROSBNGGMQNCCD-ISMMABDCSA-N 260.300 2.618 30 50 CFEA Cc1nnc(N=C(O)CCc2nccs2)n1C1CC1 329088875 VTZQWFVFNQLKQZ-UHFFFAOYSA-N 277.353 2.599 30 50 CFEA COc1ccc(-c2cc(C#N)n(C(F)F)c2)c(OC)n1 426580764 MKAJUUBFBNKMEQ-UHFFFAOYSA-N 279.246 2.834 30 50 CFEA N#Cc1cc2cccnc2nc1N1CC[C@@H]1[C@H]1CCCOC1 1775296197 KYCXNDNDRVHJNG-DZGCQCFKSA-N 294.358 2.507 30 50 CFEA CC(C)(O)C#Cc1ccc(C(=O)NCc2ccccc2)cc1 229538 AMFYCJAVWULZGQ-UHFFFAOYSA-N 293.366 2.739 30 50 CFEA CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(C#N)c1 2585860 QSPUAVCHVGCBGN-GFCCVEGCSA-N 290.319 2.599 30 50 CFEA COc1ccc(C(=O)Nc2ccc(C#N)cc2)c(OC)c1 4506287 ZCROMGXHTXKIDQ-UHFFFAOYSA-N 282.299 2.828 30 50 CFEA CC(C)N1CCC(=NNC(=S)Nc2ccccc2)CC1 55079175 YGRAZWCWOOPNHP-UHFFFAOYSA-N 290.436 2.833 30 50 CFEA C[C@H]1CN(CCCCOc2ccccc2C#N)C[C@H](C)O1 20653459 MFVDANBNLQYMGT-GJZGRUSLSA-N 288.391 2.826 30 50 CFEA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)c1cc(C#N)c[nH]1 216126613 DGVAKRJSJDIJEF-UHFFFAOYSA-N 299.378 2.553 30 50 CFEA C=CC[C@]1(C(=O)OCC)CCCN1C(=O)OC(C)(C)C 91361908 RGLGSNCDWXORJR-OAHLLOKOSA-N 283.368 2.895 30 50 CFEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4C=C[C@H]4[C@H]23)cc1 248011304 IXJFKIGVJVLUOZ-RYPNDVFKSA-N 276.357 2.521 30 50 CFEA CC#CC(=O)N(CCOCC)[C@H]1CCc2ccccc21 863002978 RCIJNDLAOZFIKP-INIZCTEOSA-N 271.360 2.562 30 50 CFEA COCCOc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cn1 185868380 RDRLOGZJLOXWHC-OLZOCXBDSA-N 275.352 2.601 30 50 CFEA N#Cc1cc(OC[C@@H]2C[N@]2C2CCC2)ccc1Cl 1875379449 QLLUJAMRYPMZCL-YVEFUNNKSA-N 262.740 2.827 30 50 CFEA CC1(C)OB(/C=C/CO[C@@H]2CCCCO2)OC1(C)C 169743642 MHSOBXCZCRNELG-YPUOHESYSA-N 268.162 2.717 30 50 CFEA CC1(C)OB(c2cc(F)cc3[nH]ccc23)OC1(C)C 169996000 ULVDSUCFEQPJSB-UHFFFAOYSA-N 261.105 2.606 30 50 CFEA CC(=O)Nc1ccc(C(=O)/C=C\c2ccccn2)cc1 4531805 LAXKVXCZXLEVKG-KTKRTIGZSA-N 266.300 2.936 30 50 CFEA Cc1cccc(N/C(S)=N\C[C@@H]2CCCO2)c1 13468597 AJWMKLWNNYDADX-LBPRGKRZSA-N 250.367 2.872 30 50 CFEA CCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(F)cc1 2050042 BPGLWBQGPAHDCK-AWEZNQCLSA-N 291.322 2.910 30 50 CFEA C=CCOc1ccc(Cl)cc1CNC(C)(C)CO 2861667 YTGWJRZVINBSLB-UHFFFAOYSA-N 269.772 2.765 30 50 CFEA C#CCSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 2928044 OQXOLCHNOCUSDE-UHFFFAOYSA-N 276.386 2.589 30 50 CFEA C#CC[C@H](OC(C)=O)c1ccccc1[C@@H](CC#C)OC(C)=O 6761495 GHEVBJNUBWNGLV-HDICACEKSA-N 298.338 2.942 30 50 CFEA C=C(C)CN(C)[C@@H](C(=O)O)c1cc(C)c(OC)c(C)c1 55392944 IJPFODAUPHXBPD-CQSZACIVSA-N 277.364 2.946 30 50 CFEA CC#CCN1CCC=C(CCNC(=O)C2CCCCC2)C1 65464106 LHICDBKJLRXXAK-UHFFFAOYSA-N 288.435 2.728 30 50 CFEA Cc1nsc(NC(=O)N2CC[C@H](C3CC3)C2)c1C#N 333878944 RDGUUYHPIXWKJY-JTQLQIEISA-N 276.365 2.587 30 50 CFEA N#CC1(c2ccc(C(=O)N3C[C@@H]4C[C@H]3CS4)cc2)CC1 335143368 DDGNDFHRYMZMDL-KBPBESRZSA-N 284.384 2.572 30 50 CFEA C[C@@H]1c2c(F)cccc2CCN1c1cnc(C#N)cn1 543128034 IHMFDIITXSVYTD-SNVBAGLBSA-N 268.295 2.611 30 50 CFEA O=C([C@@H]1CO1)N1CCc2ccc(-c3ccccc3)cc2C1 1875372737 LVDBOIFKXPPQLP-KRWDZBQOSA-N 279.339 2.637 30 50 CFEA Cc1cscc1N=C(O)N1CCC[C@H]1CCCO 331224230 BCKMNECMGBXKFH-NSHDSACASA-N 268.382 2.839 30 50 CFEA N/C(=N\OC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 5059953 ILOHILZTUAIJSX-UHFFFAOYSA-N 292.697 2.956 30 50 CFEA Cc1ccccc1[C@H](c1c(O)n[nH]c1C)C(C#N)C#N 1030471 HPULGKRZFGYYPM-CQSZACIVSA-N 266.304 2.527 30 50 CFEA COC(=O)c1cc(C(C)C)sc1NC(=O)CC#N 6782190 SLYBYRAXNOUYAZ-UHFFFAOYSA-N 266.322 2.510 30 50 CFEA Cc1ccc2c(c1)/C(=N/Nc1ccccc1[N+](=O)[O-])C(=O)N2 101116232 IWWOLVFTTHYLPD-UHFFFAOYSA-N 296.286 2.672 30 50 CFEA Cc1cc(C#N)cc(N2CCC[C@](O)(C(F)(F)F)CC2)n1 314178329 QRGWKYUPTFGNFE-CYBMUJFWSA-N 299.296 2.545 30 50 CFEA N#Cc1cc2c(nc1NC[C@H](N)c1ccccc1)CCCC2 261954914 NWCCIPXKDVVYSK-INIZCTEOSA-N 292.386 2.944 30 50 CFEA CC(C)(C)OC(=O)N[C@H](CC=O)Cc1ccc(F)cc1 149533439 GUDDDSNJWUHLAN-CYBMUJFWSA-N 281.327 2.851 30 50 CFEA N#Cc1ccc(-c2ccc(C(=O)O)c(F)c2)cc1O 65341557 FUQIYGVUFPSIRX-UHFFFAOYSA-N 257.220 2.768 30 50 CFEA in-vitro C/C(=C\c1ccc(F)cc1)C(=O)Nc1cnn(CC#N)c1 221830115 AERZQDXABSSCPB-DHZHZOJOSA-N 284.294 2.588 30 50 CFEA C/C(=N\NC(=S)NCC(F)(F)F)c1cc(C)oc1C 222169455 SEPFVFYZKHHGJK-FRKPEAEDSA-N 293.314 2.647 30 50 CFEA C#Cc1cccc(N(Cc2ccncc2)C(=O)[C@H](C)OC)c1 193553212 NEOUGVKRUPRUBM-AWEZNQCLSA-N 294.354 2.631 30 50 CFEA O=C(O)c1ccc(N/C=C/C(=O)c2ccco2)cc1 616658 ZEKVQJCKCLBDEH-BQYQJAHWSA-N 257.245 2.786 30 50 CFEA CC[C@H]1CCCCN1CCNc1cccc(C#N)n1 265505643 JECRGXSLAJCKMH-AWEZNQCLSA-N 258.369 2.630 30 50 CFEA C=CCc1cc(C)ccc1OCCCNCCOC 3001789 VYVKARFQPLQHTG-UHFFFAOYSA-N 263.381 2.728 30 50 CFEA C=CCOc1c(Cl)cc(CNC(C)(C)CO)cc1OC 4868230 LTXSWPOXUYGLLL-UHFFFAOYSA-N 299.798 2.774 30 50 CFEA C=CCOc1ccc2ccccc2c1CNc1nnn[nH]1 6192701 IQYRIUGRUZTMKQ-UHFFFAOYSA-N 281.319 2.530 30 50 CFEA CC[C@@]12C[C@H]1CN(C(=O)c1cc(F)cc(C#N)c1)C2 1772808789 BEYCETXNSDKELG-WFASDCNBSA-N 258.296 2.569 30 50 CFEA CC(C)(O)[C@@H]1CCCN1c1cc(C#N)c2ccccc2n1 408194055 GHCNOFJUNDVECW-HNNXBMFYSA-N 281.359 2.846 30 50 CFEA COc1ccc([N+](=O)[O-])cc1NC(=O)ON1CCCCC1 2156092 QIANMDFJQCBHPR-UHFFFAOYSA-N 295.295 2.553 30 50 CFEA N#Cc1cc(CN2CCCc3ccccc3C2)c[nH]1 2356163017 PKSKCMULZIALDW-UHFFFAOYSA-N 251.333 2.835 30 50 CFEA C[C@@]1(Br)C[C@@H]1C(=O)NCC1(C#N)CCCCC1 862209364 SVKYZKSYVFGGML-ZYHUDNBSSA-N 299.212 2.750 30 50 CFEA Cc1ccc(S(=O)(=O)NN=C2CCCCCC2)cc1 7946093 ALDSHQNICOCDHB-UHFFFAOYSA-N 280.393 2.984 30 50 CFEA CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O 8436851 PHSRRHGYXQCRPU-AWEZNQCLSA-N 297.395 2.518 30 50 CFEA in-vivo O=C(Nc1ccccc1)[C@@]12C[C@H]1/C(=N/O)c1ccccc1O2 103856987 FPXPIEZPAXSELW-GNVSXLNQSA-N 294.310 2.655 30 50 CFEA C=C(C)COc1ccccc1C(=O)N1CCCOCC1 55283574 NYZZRMIVMWPVRW-UHFFFAOYSA-N 275.348 2.504 30 50 CFEA Cn1nccc1[C@@H]1OCC[C@H]1C(O)=Nc1ccsc1 328628333 NPNRHJBBLYQRFS-ZYHUDNBSSA-N 277.349 2.847 30 50 CFEA CC1(C)OB([C@H](CCN)c2ccccc2)OC1(C)C 1775956078 OHTIIHOFURCDQJ-CYBMUJFWSA-N 261.174 2.750 30 50 CFEA CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 1535645463 AQEITQBMKRPRMU-VHSXEESVSA-N 283.177 2.746 30 50 CFEA C=C1C[C@@H]1C(=O)Nc1ccc(OCCOC)c(Cl)c1 585131767 FUNZVBJOWBKXQN-NSHDSACASA-N 281.739 2.880 30 50 CFEA O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1cccnc1 4566602 DFXQMCHHZQLWHB-YVMONPNESA-N 254.245 2.886 30 50 CFEA CCOc1ccccc1NC(=O)N1CCC[C@@H](C#N)C1 96138692 GMRAJJUXZXAARU-LBPRGKRZSA-N 273.336 2.853 30 50 CFEA SCCNCCCCCOc1ccc(Cl)cn1 3598890 FBBHAFBKFSNIEX-UHFFFAOYSA-N 274.817 2.804 30 50 CFEA CCNC(=S)N/N=C/c1ccc(-c2ccccc2)o1 8830305 NOAYEXZCRYCYLY-MHWRWJLKSA-N 273.361 2.765 30 50 CFEA Cc1nc2c(s1)CCC[C@H]2Nc1nccnc1C#N 32586952 QIDQMMJTYYZPGK-SECBINFHSA-N 271.349 2.603 30 50 CFEA CN(C)C(=O)Cc1ccc(Nc2ccc(C#N)cc2)cc1 1249712839 USZLLWOJNVKXIU-UHFFFAOYSA-N 279.343 2.933 30 50 CFEA N#Cc1nc(/C=C/c2ccccc2)oc1N1CCC[C@H](O)C1 606422444 JVZNKLOKOXDKOU-VFNNOXKTSA-N 295.342 2.678 30 50 CFEA COc1ccsc1CN[C@@H]1Cc2ccc(C#N)cc2C1 865849863 XOLITIYZYMXITO-CQSZACIVSA-N 284.384 2.885 30 50 CFEA C#CCN(C)C(=O)Nc1ccc(OC2CCC2)c(F)c1 170617019 WLSXWTZUUSYROQ-UHFFFAOYSA-N 276.311 2.854 30 50 CFEA C[C@@]1(C2CC2)Cc2nnc(-c3ccc(C#N)cc3)n2C1 1857682540 MXKPGCCUZFZNSD-MRXNPFEDSA-N 264.332 2.789 30 50 CFEA CC1(C)CC(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 334315953 OCNJCUQDEVIZQH-MRXNPFEDSA-N 298.386 2.894 30 50 CFEA Cc1ccc(/C=N/Nc2nc3ccccc3[nH]c2=O)cc1 4003211 CARPROJTONAMLC-LICLKQGHSA-N 278.315 2.678 30 50 CFEA CCc1cccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)n1 336274033 BUDUADGGNVOPQJ-CQSZACIVSA-N 271.364 2.798 30 50 CFEA CCC#CCN1CCN(c2ccc(OC)cc2)C[C@H]1C 670434952 DMQNNTPWDMCESL-OAHLLOKOSA-N 272.392 2.619 30 50 CFEA O=C([C@H]1CO1)N(Cc1ccccc1)Cc1ccccc1 1875372407 FRBIXFXSBDQTDI-MRXNPFEDSA-N 267.328 2.614 30 50 CFEA Cc1ccc(C(=O)O/N=C(\N)c2ccncc2)cc1Cl 4171362 VUBDAEINRRYPNJ-UHFFFAOYSA-N 289.722 2.521 30 50 CFEA C=CCONC(=O)Nc1ccccc1Br 5171644 WTYNGEWYTNVIDH-UHFFFAOYSA-N 271.114 2.688 30 50 CFEA C(#CCN1CCOCC1)COc1cccc2ccccc12 16623786 VJZIJDXFCZGNLS-UHFFFAOYSA-N 281.355 2.554 30 50 CFEA C=CCC[C@@H](CO)NC(=O)c1csc2ccccc12 320304852 BZJUUKNXLVPEDW-NSHDSACASA-N 275.373 2.958 30 50 CFEA CCn1c(N)[n+](CC(=O)c2ccc(C)cc2)c2ccccc21 86386 NBGGTZSABUHPTR-UHFFFAOYSA-O 294.378 2.722 30 50 CFEA CC1=C(C)[C@@]2(C)[C@H]3C(=O)C=CC(=O)[C@@H]3[C@@]1(C)C(=O)C2(C)C 216172564 RQFQLKCULHEKLG-USJZOSNVSA-N 286.371 2.898 30 50 CFEA COc1cc(/N=C2/C=C(O)NC2)ccc1-c1c(C)n[nH]c1C 888090261 OAHXEMHNAJAWHB-PDGQHHTCSA-N 298.346 2.777 30 50 CFEA CCCNCc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 169936531 YIUAXEAMKCUMFH-UHFFFAOYSA-N 293.191 2.625 30 50 CFEA in-vitro N/N=C1\CCCc2c1[nH]c1ccc(Br)cc21 213079 USFDHULTUZQIFQ-LFIBNONCSA-N 278.153 2.930 30 50 CFEA CC#CC(=O)N1CCC[C@H](CCc2ccc(OC)cc2)C1 12440905 FSTMCDSRDPSBPN-MRXNPFEDSA-N 285.387 2.890 30 50 CFEA C=CC(C)(C)c1cc2ccc(OC)c(O)c2oc1=O 15120948 KNZZAAGBIUZSNV-UHFFFAOYSA-N 260.289 2.971 30 50 CFEA biogenic,in-vitro O=C(OCc1ccccc1)N1CCC/C(=N\O)CC1 100764447 KDZQESRASWATAR-FYWRMAATSA-N 262.309 2.639 30 50 CFEA N#Cc1ccc(CN2CCC3(CCOCC3)CC2)cc1 216395556 GXGJGTPPMRLTNS-UHFFFAOYSA-N 270.376 2.951 30 50 CFEA C=CCSc1nc(O)c(CC)c(=O)n1-c1ccccc1 16514195 SSUVZJFZAUEGBW-UHFFFAOYSA-N 288.372 2.779 30 50 CFEA C=CCNC(=O)[C@@H](C)Oc1cccc(Br)c1 16580544 XKXBELPABPZYLL-SECBINFHSA-N 284.153 2.519 30 50 CFEA Cc1ccc(CN2CCN(/N=C\c3ccco3)CC2)cc1 19773071 STQVDROTNWCOAX-AQTBWJFISA-N 283.375 2.740 30 50 CFEA Cc1cc(C)c(C#N)c(N2CCC(c3ccnn3C)CC2)n1 110414228 UAVLCCJOYFFIKG-UHFFFAOYSA-N 295.390 2.688 30 50 CFEA C=C(C)[C@@H](O)COc1c2ccoc2cc2oc(=O)ccc12 3594419 BVMOMQJYQYBMKL-LBPRGKRZSA-N 286.283 2.855 30 50 CFEA endogenous,in-man COc1ccc(-c2nc(C#N)c(NC[C@@H]3CCCO3)o2)cc1 468442 SFMINTICPCWQBX-ZDUSSCGKSA-N 299.330 2.813 30 50 CFEA CN(C)CC/N=C(\S)Nc1ccccc1Cl 8829855 OFBFNFQGVFVHQX-UHFFFAOYSA-N 257.790 2.599 30 50 CFEA C=C(C)COc1ccc(C(=O)NCc2cc(C)n[nH]2)cc1 55182642 FMIXANMPWKUMRJ-UHFFFAOYSA-N 285.347 2.603 30 50 CFEA CCCCCC/C=C/[N+]([O-])=N[C@@H](COC)[C@@H](C)O 100307370 BCPWSYQGYBTINM-MIODYRIUSA-N 258.362 2.829 30 50 CFEA in-vitro CC(C)CC(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 67817841 NLXVEKIPJBGQGK-QGZVFWFLSA-N 299.418 2.542 30 50 CFEA C[C@@]1(C#N)CCCN(C(=O)CCC(=O)Nc2ccccc2)C1 584899601 HMXQUCNVHMRCKO-KRWDZBQOSA-N 299.374 2.558 30 50 CFEA C[C@H](CC#N)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 170608614 GUBLDZSNYHTJPN-JHJVBQTASA-N 281.400 2.714 30 50 CFEA N#Cc1cc(N2CC[C@@H]3C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 596511848 QWCNIHJBEQCDEJ-PWSUYJOCSA-N 294.314 2.861 30 50 CFEA CC(C)(C)C(=O)Nc1cc(C#N)cnc1Br 35270573 VYIPWTXWXNXZOX-UHFFFAOYSA-N 282.141 2.700 30 50 CFEA in-vitro COC(=O)C[n+]1cc2sccc2c2cscc21 2027068 JSZFZMZOAYDWKC-UHFFFAOYSA-N 264.351 2.577 30 50 CFEA O=S(=O)(/N=C/c1ccccc1)c1cccs1 55573 FIDRCCGLKUWJQF-FMIVXFBMSA-N 251.332 2.556 30 50 CFEA COc1ccccc1NC(=O)CSc1ncccc1C#N 7051547 QKHPLUAAZCASIV-UHFFFAOYSA-N 299.355 2.693 30 50 CFEA OC1=N[C@@H](/C(O)=N/[C@H](c2ccccc2)[C@H]2CCOC2)CC1 329188685 REMJOPWUWSLWKZ-GZBFAFLISA-N 288.347 2.840 30 50 CFEA CCOC(C)=NOS(=O)(=O)c1c(C)cc(C)cc1C 254790985 KQCBSWBQAXTILK-UHFFFAOYSA-N 285.365 2.687 30 50 CFEA COc1cc(Br)cc2c1OCC(C(C)=O)=C2 675081677 HSHSITFPHGETCI-UHFFFAOYSA-N 283.121 2.823 30 50 CFEA O=C([C@@H]1CO1)N1CCC[C@H]1C[C@@H]1CCCc2ccccc21 1875373219 WIUZBUMMBUYFFW-ZOBUZTSGSA-N 285.387 2.886 30 50 CFEA O=C([C@@H]1CO1)N1CCC(Cc2ccc(Cl)cc2)CC1 1875372777 MKUPGYXQXCUSPJ-AWEZNQCLSA-N 279.767 2.520 30 50 CFEA C=CCN(Cc1ccccc1OC)C[C@@H]1CCOC1 952961217 YSAGWRRDFLTWEF-AWEZNQCLSA-N 261.365 2.720 30 50 CFEA Cc1ccc(NC(=O)N(C[C@H](C)C#N)C2CC2)cn1 611095793 JLQZASVYKQKJGB-SNVBAGLBSA-N 258.325 2.546 30 50 CFEA Cc1ccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)cc1 18044537 JVWAMCNTIIWVNP-BQYQJAHWSA-N 270.284 2.858 30 50 CFEA CCC1(CN/C(O)=N/C[C@H]2CCO[C@@H]2C(C)C)CC1 328627392 MTVWNRQFFJSBLZ-CHWSQXEVSA-N 268.401 2.741 30 50 CFEA CCNC(=S)N/N=C/c1cccc2ccccc12 450683 RJKKXWAPLYEEHY-MHWRWJLKSA-N 257.362 2.658 30 50 CFEA C=CCNC(=S)N(C)Cc1cccc(Cl)c1 6375417 RQCYXGASZSMDOI-UHFFFAOYSA-N 254.786 2.832 30 50 CFEA CCC[C@@H]1C[C@H]1N/C(O)=N/C[C@H]1CCO[C@@H]1C(C)C 328623410 JCFQPGDXEQTWFV-AAVRWANBSA-N 268.401 2.740 30 50 CFEA C[C@@H]1CCc2ccccc2N1CC(=O)N[C@](C)(C#N)C1CC1 240225359 DHKHZVXTZANTDH-FZKQIMNGSA-N 297.402 2.636 30 50 CFEA COc1cc(C)ccc1OCCN1CCC[C@@H](C#N)C1 252483672 FGUCENSHKUOACB-AWEZNQCLSA-N 274.364 2.618 30 50 CFEA CC1(C)OB(c2ccc(OC3CC3)cc2)OC1(C)C 169978308 OGSNAIXWIZRZLF-UHFFFAOYSA-N 260.142 2.527 30 50 CFEA in-vitro N#Cc1ccc(-c2nnc(CN[C@@H]3CCC[C@@H]4C[C@@H]43)o2)cc1 581712052 UUOJHBHLMJOIEP-QLFBSQMISA-N 294.358 2.886 30 50 CFEA N#Cc1cccc(Br)c1N1CC(F)(F)C1 169725850 HCEYPOZMHIBBCE-UHFFFAOYSA-N 273.080 2.776 30 50 CFEA CC(=O)[C@@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 169978290 QXTJFNYPSNXRCB-LLVKDONJSA-N 250.147 2.933 30 50 CFEA COC(=O)c1ccc2c(c1)C(=O)C(=Cc1ccccc1O)O2 1857533291 OMHYWXVYWUUERC-UHFFFAOYSA-N 296.278 2.795 30 50 CFEA CN1Cc2cc(OCc3ccccc3C#N)ccc2C1=O 336352246 LYVHPKSOTPNXDE-UHFFFAOYSA-N 278.311 2.723 30 50 CFEA C=CCNC(=O)[C@H](CC)Oc1ccc(Cl)cc1 6744011 RLJHMDUILGRLGW-LBPRGKRZSA-N 253.729 2.800 30 50 CFEA C=CCc1ccccc1OCCN(C)Cc1c[nH]cn1 55393016 DCWWNWQEKFYGCV-UHFFFAOYSA-N 271.364 2.649 30 50 CFEA CCC[C@H]1O[C@@]23CCCC[C@@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3 137454121 GXTWAXDCKTXFAL-CZPYZCIJSA-N 298.346 2.623 30 50 CFEA O=c1oc(C#Cc2ccccc2)nc(O)c1-c1ccccc1 95831071 JQVFQHUHVDYTMM-UHFFFAOYSA-N 289.290 2.807 30 50 CFEA Cc1cccnc1C[C@@H](C)Nc1cc(C#N)ccn1 670446005 WWPBMQTVJQKMCP-GFCCVEGCSA-N 252.321 2.700 30 50 CFEA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1sccc1C#N 188694801 NOAMPTIDWFQLDG-YPMHNXCESA-N 292.404 2.801 30 50 CFEA CC#CC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 764607205 VPUYGIJLLKYEKU-ZDUSSCGKSA-N 264.328 2.949 30 50 CFEA O=C(O)c1ccc(CNCC#Cc2ccccc2)cc1 5321858 CLGYJSNESJCQTI-UHFFFAOYSA-N 265.312 2.526 30 50 CFEA CC#CCNC(=O)[C@@H](c1cccnc1)C1CCCCC1 585131715 DVEXACBPRCMDRS-MRXNPFEDSA-N 270.376 2.885 30 50 CFEA N#Cc1cc(CN2CCN3CCCC[C@@H]3C2)c(F)cc1F 1237526752 QWVCDGKMBSXPDF-CQSZACIVSA-N 291.345 2.507 30 50 CFEA CC1(C)OB(c2ccc(F)c3cc[nH]c23)OC1(C)C 1857781245 BKIQQCBDPREKEI-UHFFFAOYSA-N 261.105 2.606 30 50 CFEA N#Cc1nc(-c2ccccc2)oc1NC[C@@H]1CCCO1 70922 LMUOYJPSHDSLAW-LBPRGKRZSA-N 269.304 2.804 30 50 CFEA Cc1cc(NC=C2C(=O)CC(CC(C)C)CC2=O)no1 2504521 IILRQUHDQKGKSQ-UHFFFAOYSA-N 276.336 2.873 30 50 CFEA C=C[C@H](CC(=O)N[C@H]1CCC[C@H]1C(=O)O)c1ccccc1 262963340 RXTSGETVXKXPQJ-YUELXQCFSA-N 287.359 2.716 30 50 CFEA N#Cc1cccc(CN2C(=O)CC3(CCCC3)CC2=O)c1 48348105 AFMPYLXHOKHPPE-UHFFFAOYSA-N 282.343 2.768 30 50 CFEA CC(C)[C@H]1OCCC[C@H]1CNc1ccc(C#N)nc1 267648654 LTUPEGNBJAUPHR-SWLSCSKDSA-N 259.353 2.816 30 50 CFEA N#CC[C@@H]1CCCN(C(=O)c2cc3c(o2)CCCC3)C1 1548726927 ACMPQVGMKHURIW-LBPRGKRZSA-N 272.348 2.924 30 50 CFEA Cn1c(S[C@H]2CC[C@@H](C#N)C2)nc2ccsc2c1=O 278497047 CBQYCKKWBCNYOV-BDAKNGLRSA-N 291.401 2.779 30 50 CFEA Cc1n[nH]cc1CN(C)c1nc(C(C)C)ccc1C#N 1529109490 ASDUIIJMNQQSHC-UHFFFAOYSA-N 269.352 2.745 30 50 CFEA C=CCN(Cc1ccc(C)cc1)[C@@H](C)C(=O)N1CCCC1 1529178562 NQCFJNDDIMPQED-INIZCTEOSA-N 286.419 2.994 30 50 CFEA Cc1ccc(C(=O)O/N=C(\N)c2ccc(C)cc2)cc1 4682704 DBKQUWRXPKBWGK-UHFFFAOYSA-N 268.316 2.781 30 50 CFEA CNc1ccccc1/C(O)=N/CCNc1ccccn1 328592585 KQZQKJRFCQRBJB-UHFFFAOYSA-N 270.336 2.540 30 50 CFEA CNc1oc([C@@H]2C[C@H]2c2ccc(OC)cc2)nc1C#N 1857799348 XYQPLGCLWCYFSJ-NWDGAFQWSA-N 269.304 2.868 30 50 CFEA C=CCn1c(N)c(C(=O)N2CCCCC2)sc1=S 425129 OQUMCCVSKGJWBH-UHFFFAOYSA-N 283.422 2.673 30 50 CFEA C/C(=N\N1CCN(c2ccccc2)CC1)c1cccnc1 4952841 UVDFCHRNUHTMFH-XDJHFCHBSA-N 280.375 2.628 30 50 CFEA C=C(C)COc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 6746136 PNPLHUWVTVEYRN-ZIAGYGMSSA-N 289.375 2.891 30 50 CFEA CSCCCNC(=O)Nc1ccc(C#N)cc1F 97527356 VSSSFCZKTRMRSY-UHFFFAOYSA-N 267.329 2.572 30 50 CFEA C=C[C@@H]1CCN(Cc2ccc(C#CC(C)(C)O)s2)C1 820443837 NPZDPXGPPNRNJT-CYBMUJFWSA-N 275.417 2.878 30 50 CFEA C[C@@]1(C#N)CCCN(Cc2ccccc2-n2cccn2)C1 670452445 ZTNPVZWMBXLOQR-KRWDZBQOSA-N 280.375 2.998 30 50 CFEA C#CCOc1ccc(C(=O)c2cccc(O)c2)cc1 685965958 VFOLJQQPSARQOV-UHFFFAOYSA-N 252.269 2.635 30 50 CFEA C[S@@](=O)CCCNc1cc(C#N)ccc1C(F)(F)F 124330445 DBMZRHLZYCHTSU-IBGZPJMESA-N 290.310 2.758 30 50 CFEA O=S(=O)(N/N=C/c1ccccc1Cl)c1ccccc1 1386492 YBCIXXNZWCGPBB-XNTDXEJSSA-N 294.763 2.652 30 50 CFEA C=CCCC/N=C(/O)[C@]1(O)CCc2ccccc2C1 328586949 KVIVTDYCCWADGK-INIZCTEOSA-N 259.349 2.829 30 50 CFEA O=C1C(=CNc2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 109645957 HXLXRQOSWHOZLN-UHFFFAOYSA-N 294.266 2.970 30 50 CFEA CO[C@H]1CCCN(C(=O)c2ccc(C#N)cc2C)CC1 374711201 RCHMTFWIEBGJTD-AWEZNQCLSA-N 272.348 2.508 30 50 CFEA Cc1ccc(S(=O)(=O)N/N=C2/CCCC[C@H]3C[C@H]23)cc1 4948898 ZMTYKAMKJZLDNS-DOJSCEOXSA-N 292.404 2.839 30 50 CFEA C=C(C)CN(C)C(=O)c1ccc2nc(C)c(C)nc2c1 65380763 BTZPEAHAFBTHLZ-UHFFFAOYSA-N 269.348 2.895 30 50 CFEA CC(C)(C#N)C(=O)N1CCC2(CC1)OCCc1ccccc12 334767780 SYKKNVIPITXMJM-UHFFFAOYSA-N 298.386 2.627 30 50 CFEA COc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 169983313 UBOZNYBWGUQWNT-UHFFFAOYSA-N 268.549 2.648 30 50 CFEA in-vitro Clc1ccc(CO/N=C2\CCCc3nonc32)cc1 93844 KBCQQWBCBORCCT-RVDMUPIBSA-N 277.711 2.980 30 50 CFEA O=C1c2ccccc2N[C@H](c2ccccc2[N+](=O)[O-])N1O 444843 FNBGTIABOVYVKH-ZDUSSCGKSA-N 285.259 2.551 30 50 CFEA biogenic Cc1c(C#N)c(N2CCC[C@@H](CO)C2)nc2ccccc12 296480787 KNJVHKRNLKCOAA-CYBMUJFWSA-N 281.359 2.624 30 50 CFEA N#Cc1ccc(-c2ccc([C@H]3CCC(=O)N3)cc2)nc1 1875331239 WDQSWEFWYHCQPP-OAHLLOKOSA-N 263.300 2.571 30 50 CFEA N#CCC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 186136540 JWRUYGMSJRDIOD-UHFFFAOYSA-N 276.299 2.878 30 50 CFEA CC1(C)COB(C2=CCN(C(=O)OC(C)(C)C)CC2)OC1 169956696 UFNYQCSGFXGPFD-UHFFFAOYSA-N 295.188 2.654 30 50 CFEA in-vitro CC(C)(C)[C@H](C#N)OC(=O)Cc1cccc(OCC#N)c1 225391375 YSHDRTOOKRWWST-AWEZNQCLSA-N 286.331 2.613 30 50 CFEA CCN(Cc1cnn(CC)c1)Cc1ccccc1C#N 63855917 MEUGRWAHXWNLSP-UHFFFAOYSA-N 268.364 2.797 30 50 CFEA CCCSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238199 AVNOJGBHYDZSOM-UHFFFAOYSA-N 271.345 2.811 30 50 CFEA CC#CC(=O)N(C)Cc1cc(F)cc(C(F)(F)F)c1 1875369780 HDENRVFZYZRUOP-UHFFFAOYSA-N 273.229 2.826 30 50 CFEA O=C1Nc2ccccc2/C1=N/Nc1nc2ccccc2o1 6117581 NWUCBUGDPJNKAC-UHFFFAOYSA-N 278.271 2.596 30 50 CFEA Cc1nccn1C[C@@H]1CCCN1Cc1cc(F)ccc1C#N 160965327 CJPVHBCBOYBCRV-KRWDZBQOSA-N 298.365 2.867 30 50 CFEA C=C(C)COc1cccc(CNC[C@H](C)n2cncn2)c1 55153165 VDGHZUBHPFEXSW-AWEZNQCLSA-N 286.379 2.584 30 50 CFEA C=CCN(Cc1ccccn1)Cc1c(C)nn(C)c1Cl 65382493 ABRLRHHSIBPOFI-UHFFFAOYSA-N 290.798 2.965 30 50 CFEA CC#CC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F 283739721 GRVRFUJBNDTJLR-LBPRGKRZSA-N 269.266 2.690 30 50 CFEA O/C(Cn1cccn1)=N/C[C@H]1CCO[C@@H]1c1ccccc1 328613122 QUONCWABSDHHQF-GDBMZVCRSA-N 285.347 2.617 30 50 CFEA N#Cc1cc(C(=O)O)cc(Br)c1C(F)F 263623594 IVYDPJOVCNFWLN-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA C[C@@H](OCC1CC1)C(=O)Nc1cc(F)c(C#N)cc1F 952884682 JSZPKGVXHKUIQP-MRVPVSSYSA-N 280.274 2.590 30 50 CFEA N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)nc1 110284201 WJGKAFCDTLTTIC-VXGBXAGGSA-N 299.280 2.974 30 50 CFEA CC(C)NC(=O)CNc1c(C#N)sc2ccccc12 1615587467 MPFMARSPOMNHPQ-UHFFFAOYSA-N 273.361 2.709 30 50 CFEA Cc1nn(C[C@@H](C#N)CCC#N)c(C)c1Br 152165570 IWALUPZKZAXSAS-SNVBAGLBSA-N 281.157 2.706 30 50 CFEA C#CCOc1ccc(CNCc2ccccc2)cc1 2863706 PNMAMTSXXOLRJC-UHFFFAOYSA-N 251.329 2.988 30 50 CFEA C=CCOc1ccc(CNCc2ccccn2)cc1OC 6703390 VJWHCLCUSLGCFS-UHFFFAOYSA-N 284.359 2.945 30 50 CFEA C=CCNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)o1 67539990 IDJBJQIROGTVMH-UHFFFAOYSA-N 285.299 2.634 30 50 CFEA Cc1nc(-c2cc(-c3ccsc3)nc(N)c2C#N)c[nH]1 67967885 WJEZKUDHTUDCOO-UHFFFAOYSA-N 281.344 2.963 30 50 CFEA CN(C)C/C(O)=N/c1nc(-c2ccccc2)cs1 20215504 NBHOEGCSNLZGCE-UHFFFAOYSA-N 261.350 2.960 30 50 CFEA CCn1cc(CN2CCCC[C@@H]2CCN(C)C)cc1C#N 77517112 FWNSVLAFYCVQFV-MRXNPFEDSA-N 288.439 2.686 30 50 CFEA CCOC(=O)[C@H]1[C@H](C2CC2)[C@H]1B1OC(C)(C)C(C)(C)O1 1875389912 NCVQUOXJXLWUEN-SDDRHHMPSA-N 280.173 2.668 30 50 CFEA N#Cc1ccc(OC[C@@H](O)C2CCCCC2)c([N+](=O)[O-])c1 191365444 CCESJKNGRXVMKM-CQSZACIVSA-N 290.319 2.786 30 50 CFEA N#Cc1cnc2c(F)ccc(F)c2c1N1CC[C@H](F)C1 590707844 ATZFKMJPYWVBCH-VIFPVBQESA-N 277.249 2.933 30 50 CFEA N#Cc1c(NC(=O)c2cccnc2)sc2c1CCC2 309905 XAUVWKMXDUSPPU-UHFFFAOYSA-N 269.329 2.756 30 50 CFEA O=C(C#Cc1ccc(F)cc1F)NCCC1=CCCC1 2325733306 NYLSSKXVBPNYDZ-UHFFFAOYSA-N 275.298 2.933 30 50 CFEA C=CCN(CC=C)C(=S)Nc1cccc([N+](=O)[O-])c1 611730 SCTYWOASUXFNIJ-UHFFFAOYSA-N 277.349 2.966 30 50 CFEA C=CCOc1ccc(C(=O)OCCN2CCCCC2)cc1 2998405 OKAYARSPOUDTCC-UHFFFAOYSA-N 289.375 2.894 30 50 CFEA COc1ccccc1/C=N/N1CCN(c2ccccc2)CC1 33288068 PIFQGYCFQYGBIK-XDJHFCHBSA-N 295.386 2.851 30 50 CFEA CC#CCN[C@@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1 129707578 GYRSECUUAXQGFS-LBPRGKRZSA-N 294.280 2.526 30 50 CFEA C[C@H](C(=O)N1CCC(C)(C#N)CC1)c1ccc(O)cc1 584898926 KTCGJBDOTATBCL-LBPRGKRZSA-N 272.348 2.648 30 50 CFEA O=C([C@@H]1CO1)N1CCC[C@H]1C[C@H]1CCCc2ccccc21 1875373218 WIUZBUMMBUYFFW-VYDXJSESSA-N 285.387 2.886 30 50 CFEA C#CCCC1(CCC(=O)NC[C@H]2CCCC2(F)F)N=N1 952880696 HHAWIAGOKCXNEJ-LLVKDONJSA-N 283.322 2.894 30 50 CFEA Cc1ccccc1NS(=O)(=O)c1ccccc1C#N 74795 QRWSKXADUNWCQU-UHFFFAOYSA-N 272.329 2.668 30 50 CFEA Nc1ncccc1/C=N/Nc1nc2ccccc2s1 2325809695 YZSYYUOMBQZATB-LZYBPNLTSA-N 269.333 2.720 30 50 CFEA C=CCN(CC=C)CCCOc1ccccc1C(=O)OC 2838971 MHVVBTBQGZTVBT-UHFFFAOYSA-N 289.375 2.916 30 50 CFEA N#CCSCC(=O)Nc1ccc(Br)cc1 2877798 DFBINXVUMAIHIB-UHFFFAOYSA-N 285.166 2.644 30 50 CFEA Cc1ccccc1CN(CCO)C(=O)c1cccc(C#N)c1 67694929 DMCPFGUUCJZOAN-UHFFFAOYSA-N 294.354 2.501 30 50 CFEA C=C/C(O)=N/Cc1ccc(-n2nc(C)cc2C)nc1 328594612 YOBXXHMDCSRPBQ-UHFFFAOYSA-N 256.309 2.527 30 50 CFEA O/C(=N/CC1(C(F)(F)F)CC1)[C@@H]1CCc2n[nH]cc2C1 329100742 DVHVVNNVVSKLAR-MRVPVSSYSA-N 287.285 2.814 30 50 CFEA Cc1ccc(S(=O)(=O)N/N=C2/CCCC[C@@H]2C)cc1 31689726 KZVGAHHUQAEXAS-VCHHOEMESA-N 280.393 2.839 30 50 CFEA C=CC(=O)NCc1ccc(C(=O)N2CCCC[C@H]2C=C)cc1 490731108 IZOCFYPVBBOFKH-MRXNPFEDSA-N 298.386 2.670 30 50 CFEA Cc1cc(NC(=O)CCSc2cccc(C#N)c2)no1 177103054 IGQXUGACCNUWJY-UHFFFAOYSA-N 287.344 2.976 30 50 CFEA N#Cc1cccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 95502403 ROLGXDPOMBEMTA-YOEHRIQHSA-N 299.374 2.717 30 50 CFEA O=[N+]([O-])c1cccc(C=NN=Cc2cccc([N+](=O)[O-])c2)c1 254816998 OFKOPKJTGHUWLZ-UHFFFAOYSA-N 298.258 2.956 30 50 CFEA COC(=O)[C@@H]1CCN(c2c(Cl)cccc2C#N)C[C@H]1C 277029224 ZQMCACZYFVRNBF-ZYHUDNBSSA-N 292.766 2.847 30 50 CFEA CC1(C)[C@@H]2[C@H]1CC[C@@H]1OB(c3ccsc3)O[C@]12C 169872824 PURMGMLBEISVIT-OWTLIXCDSA-N 262.183 2.683 30 50 CFEA Fc1ccc(COc2ccc(/C=N/n3cnnc3)cc2)cc1 450712 VKTRVJYBVLTUAG-AWQFTUOYSA-N 296.305 2.878 30 50 CFEA C=CCC[C@@H](Cc1ccccn1)NCc1cnn(C)c1C 1616040779 DUFBICIQUNCFJS-KRWDZBQOSA-N 284.407 2.791 30 50 CFEA C#CC(C)(C)N1CC[C@@](O)(c2ccccc2)[C@@H](C)C1 15188349 VLPZXHXIPQDJKJ-YOEHRIQHSA-N 257.377 2.628 30 50 CFEA Cc1noc([C@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)n1 332219457 VJMFXDGBCYADST-ABAIWWIYSA-N 282.347 2.800 30 50 CFEA C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C#N 4666630 HQDNBULPEWJWRQ-LBPRGKRZSA-N 266.300 2.964 30 50 CFEA CC1(C)OB(c2cnc(Cl)cc2Cl)OC1(C)C 306745345 CLSAGFRLGTXEGF-UHFFFAOYSA-N 273.956 2.688 30 50 CFEA COc1ccc(/C=N/OC(=O)c2ccccc2)cc1OC 220132201 LQYACGXROGIIQW-GZTJUZNOSA-N 285.299 2.895 30 50 CFEA CC(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl 252506882 WCKTXIKKMCZBEO-UHFFFAOYSA-N 297.591 2.821 30 50 CFEA Cc1c(B2OC(C)(C)C(C)(C)O2)ccc(O)c1Cl 644165912 BTFZTLFXZKHQLJ-UHFFFAOYSA-N 268.549 2.653 30 50 CFEA COC(=O)c1ccc(S[C@@H](C)C(C)C)c(C#N)n1 408522124 DETFNVTZPXRPEO-VIFPVBQESA-N 264.350 2.876 30 50 CFEA O=C1CCCC2=C1C(c1cccnc1)C1=C(CCCC1=O)N2 19596600 TVXSAMQTZYQCMX-UHFFFAOYSA-N 294.354 2.783 30 50 CFEA Sc1nnc(-c2cccnc2)n1/N=C/C=C/c1ccco1 2592435 CQJBZPDDNPDNNX-DVTHBBLZSA-N 297.343 2.769 30 50 CFEA C=CCN(CC=C)C(=O)c1cccc(C)c1[N+](=O)[O-] 464437 OMCPNFKXIOLDNL-UHFFFAOYSA-N 260.293 2.717 30 50 CFEA C=CCn1cc(CN(C)CC[C@H](O)c2ccccc2)c(C)n1 55386800 IDISSWRUKPPPMK-SFHVURJKSA-N 299.418 2.933 30 50 CFEA N#Cc1ccc(OCc2ccc3nonc3c2)cc1 169181 JKBOZGOAPGJOBS-UHFFFAOYSA-N 251.245 2.673 30 50 CFEA O=C(/C=N/NC(=S)Nc1ccccc1)c1ccccc1 39188390 SBBWTGYRJRLZID-LFIBNONCSA-N 283.356 2.842 30 50 CFEA N#CCc1nc(-c2ccc(C(F)(F)F)cc2)no1 45893657 QWOBCHNCMFOFHG-UHFFFAOYSA-N 253.183 2.821 30 50 CFEA C=CCN1CCN(C(=O)Nc2cc(F)ccc2Cl)CC1 96136244 GGZCTXJBIUOYSS-UHFFFAOYSA-N 297.761 2.815 30 50 CFEA C=CCN(C)C(=O)NCc1ccc(OCC)c(C)c1 170601850 ATTYGUXSVUAJCY-UHFFFAOYSA-N 262.353 2.721 30 50 CFEA CC(C)(C)OC(=O)NC[C@H](C=O)CC1CCCC1 220920265 CHBSYVJKMFAEEX-GFCCVEGCSA-N 255.358 2.907 30 50 CFEA C[C@H]1CN(C)[C@H](C)C/C1=N\Oc1ccccc1[N+](=O)[O-] 13556415 UQBBTDSGUQJIBT-MOBAYIMXSA-N 277.324 2.690 30 50 CFEA C=CCNS(=O)(=O)Cc1c(Cl)cccc1Cl 13682795 REXMTNRTZOAMCX-UHFFFAOYSA-N 280.176 2.599 30 50 CFEA CC1(C)CC(=O)C=C(Nc2ccc(O)c(C(=O)O)c2)C1 19735585 TURHQPZCTBDNOI-UHFFFAOYSA-N 275.304 2.775 30 50 CFEA Cn1cc(/C(O)=N/C[C@H]2CCO[C@@H]2c2ccccc2)cn1 328608602 AQQHJKSKMLQCQH-UKRRQHHQSA-N 285.347 2.503 30 50 CFEA CC#CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 801158680 CSAKFXMUUCBEGB-UHFFFAOYSA-N 280.352 2.926 30 50 CFEA C=CCNC(=O)CCc1nc(-c2ccccc2Cl)no1 2430456 WNQMYTKZKDPUMH-UHFFFAOYSA-N 291.738 2.625 30 50 CFEA O=C(/C=C/c1ccc(Cl)cc1)c1cccc[n+]1[O-] 25665663 PWMMRVSWRGVRSZ-RMKNXTFCSA-N 259.692 2.870 30 50 CFEA C=C(C)CN(CC)C(=O)NCCc1nc(C)c(C)s1 120676520 SNAZHLSQTDZUNV-UHFFFAOYSA-N 281.425 2.910 30 50 CFEA Cc1n[nH]c(C)c1-c1cc(-c2ccc[nH]2)nc(N)c1C#N 71779993 BPSIYYMHGZMLSR-UHFFFAOYSA-N 278.319 2.538 30 50 CFEA CC(C)O[B-](OC(C)C)(OC(C)C)c1ncccc1F 199593234 GQDNPYXAGIYFRI-UHFFFAOYSA-N 284.160 2.642 30 50 CFEA C#CC1(O)CCN(Cc2cccc(SCC)c2)CC1 585135998 LPVKLPZCUSKVSD-UHFFFAOYSA-N 275.417 2.759 30 50 CFEA N#Cc1ccc(Br)cc1NCCCCO 169620340 URKXQDAKSYDHDF-UHFFFAOYSA-N 269.142 2.505 30 50 CFEA in-vitro C=C(C)C[C@H](C)C(=O)Nc1ccnc2cc(C)nn12 585113963 PDRSADVITLOCTG-JTQLQIEISA-N 258.325 2.579 30 50 CFEA CC(C)(C)OC(=O)n1cccc1B1OC(C)(C)C(C)(C)O1 169745172 DZQURIUJAGTAFW-UHFFFAOYSA-N 293.172 2.571 30 50 CFEA CC1(C)OB(c2cccc([C@]3(C)CCO3)c2)OC1(C)C 1857781679 TTXGFXOYZPKBHC-INIZCTEOSA-N 274.169 2.621 30 50 CFEA CSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1 4755360 JKOVWEGAILYUQO-YWEYNIOJSA-N 279.342 2.749 30 50 CFEA aggregator O/C(Cn1nnc(C2CC2)n1)=N/[C@@H]1CCCc2ccccc21 329015986 KCAHBDSGOOYJLP-CQSZACIVSA-N 297.362 2.585 30 50 CFEA CCc1cc(N2CCC[C@H](C#N)C2)n2nc(C)c(C)c2n1 72429059 XOJLVENGLJRNGT-CYBMUJFWSA-N 283.379 2.649 30 50 CFEA Cc1ccc(/C=N\NS(=O)(=O)c2ccc(C)cc2)cc1 32561920 ZCEQOHNBFVBUNC-WJDWOHSUSA-N 288.372 2.616 30 50 CFEA C[C@H]1[C@H](C)CCN1C(=O)/C=C/c1cccc(C#N)c1 178148332 NKMLRVOMFZJKBE-VWWYUBIBSA-N 254.333 2.828 30 50 CFEA C[C@@]1(C#N)CCCN(Cc2noc(-c3ccccc3)n2)C1 612165284 LMTUYOOMNHCKBF-INIZCTEOSA-N 282.347 2.862 30 50 CFEA C=CCOCC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 952888247 PUSCFJIOBRIAMC-HNNXBMFYSA-N 259.349 2.799 30 50 CFEA C=CCC1(C(=O)N2CC[C@H](Oc3cccnc3)C2)CCC1 170611225 VLBMZXFSTKBWSX-HNNXBMFYSA-N 286.375 2.808 30 50 CFEA C=CCCCCCN1CCC(C)(C)S(=O)(=O)CC1 193584525 NJANRLVJDQKPQR-UHFFFAOYSA-N 273.442 2.632 30 50 CFEA COc1ccc(/C=C/C(=O)c2ccc(O)c(C(=O)O)c2)cc1 4528977 VQHPMNQHSCDLLS-XBXARRHUSA-N 298.294 2.995 30 50 CFEA CNc1oc([C@H]2C[C@@H]2c2ccc(OC)cc2)nc1C#N 1857799347 XYQPLGCLWCYFSJ-NEPJUHHUSA-N 269.304 2.868 30 50 CFEA C#CCSc1nc2ccc([N+](=O)[O-])cc2s1 2665578 GBRQBQAOLJDLIG-UHFFFAOYSA-N 250.304 2.930 30 50 CFEA C=C/C(O)=N/CC[C@@](O)(c1ccccc1)C(F)(F)F 328600779 ZVJCAYNOCYRZFP-GFCCVEGCSA-N 273.254 2.969 30 50 CFEA CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(CCCC#N)C2 153400853 NBSMWQLYINSYEY-KBPBESRZSA-N 293.411 2.764 30 50 CFEA Cc1ccoc1/C(O)=N/[C@@H](CC(=N)O)C1CCOCC1 331036895 NVIJEWPZIVZXNA-NSHDSACASA-N 280.324 2.613 30 50 CFEA CCn1cc(CN(C)Cc2cc(C#N)n(CC)c2)c(C)n1 584903599 DLUNAVCTPIWBHT-UHFFFAOYSA-N 285.395 2.537 30 50 CFEA C#CCCC1(CCC(=O)N2CCC(C)(COC)CC2)N=N1 952881946 KOJPSDYAWBJSQN-UHFFFAOYSA-N 291.395 2.617 30 50 CFEA C/C(=N\Nc1ncnc2sccc12)c1c[nH]nc1C 1875252869 RZVLPUWALOXQJF-CAOOACKPSA-N 272.337 2.559 30 50 CFEA C=C(C)Cn1cc2c(n1)CCN(C(=O)OC(C)(C)C)C2 585122901 GZJZQINIXPCWSW-UHFFFAOYSA-N 277.368 2.752 30 50 CFEA CC1=CC(=O)/C(=C\Nc2ccc(C)c3ncccc23)C(=O)O1 1547201157 YCZDKXGLHLJRPX-UKTHLTGXSA-N 294.310 2.869 30 50 CFEA C=CCONC(=O)Nc1ccc(Br)cc1 5382796 OGUKVTJODOJKJA-UHFFFAOYSA-N 271.114 2.688 30 50 CFEA N#CC1(CCn2nnc(=Nc3ccccc3)[nH]2)CCCCC1 2325806140 YIPGCLYEMIQBSR-UHFFFAOYSA-N 296.378 2.703 30 50 CFEA C=C(CN(C)CCCOc1cccc(Cl)c1)C(=O)O 2325851749 HVUAJRUYYYWOHF-UHFFFAOYSA-N 283.755 2.682 30 50 CFEA C#CC1(NS(=O)(=O)c2ccc(C)cc2)CCCCC1 4108976 BTWYHYSOUNFBPM-UHFFFAOYSA-N 277.389 2.609 30 50 CFEA CC(C)(C)[C@](C)(C#N)NC(=O)CC1CC(F)(F)C1 332052748 NQWLUASTNVDFDQ-LBPRGKRZSA-N 258.312 2.866 30 50 CFEA C=C(CN1C(=O)N[C@@H]([C@@H](C)CC)C1=O)c1ccccc1 287865911 YCUFYVZSEHBCQV-FZMZJTMJSA-N 272.348 2.666 30 50 CFEA CC(C)(C#N)c1ccc(-c2cncc(C(=O)O)n2)cc1 215209475 PVVOMRDKUZWFPP-UHFFFAOYSA-N 267.288 2.643 30 50 CFEA CC#CC(=O)N(C)C[C@H](OC(C)C)c1ccccc1 1875379663 TXHXBTNGHAPVFA-HNNXBMFYSA-N 259.349 2.634 30 50 CFEA C#CCN1CCC(C(=O)Nc2ccccc2NCCC)CC1 170611302 UGQFYRQWMZRYMN-UHFFFAOYSA-N 299.418 2.792 30 50 CFEA N#Cc1cc(F)ccc1CN(CCO)[C@@H]1C[C@H]2CC[C@H]1C2 225470279 HKVAETQHAAWMSA-GDZNZVCISA-N 288.366 2.680 30 50 CFEA CCOc1cccc(OCC#CCN2CCCC2)c1 16623616 LXKGYPRSRWMIIN-UHFFFAOYSA-N 259.349 2.563 30 50 CFEA C[C@H]1CCN(CCOc2ccc(C#N)cc2)C[C@H]1C 103408232 STSLBMIQEBKTIF-UONOGXRCSA-N 258.365 2.915 30 50 CFEA CCC(CC)CN1CCN(c2cc(C#N)ccn2)CC1 65529297 UOIBNNYNZRPBKE-UHFFFAOYSA-N 272.396 2.511 30 50 CFEA N#Cc1c(NCC2(Cc3ccccc3)CC2)cc[nH]c1=N 2325775239 MHAPWEDEFHFLLS-UHFFFAOYSA-N 278.359 2.801 30 50 CFEA C=CCNC(=O)[C@@H](C)Oc1ccc(Br)cc1 2850631 ONDXLFWUFLUGTO-SECBINFHSA-N 284.153 2.519 30 50 CFEA O=C(C[n+]1csc2ccccc21)NC1CCCCC1 2870995 XFIXZNMIIHCZHL-UHFFFAOYSA-O 275.397 2.638 30 50 CFEA CN(/N=C/c1ccc2c(c1)OCO2)c1ccccc1 4985198 IWOAVJSKIPNPKL-MHWRWJLKSA-N 254.289 2.886 30 50 CFEA CC1(C)[C@H]2C[C@@H]3OB(c4ccccc4)O[C@]3(C)[C@@H]1C2 170018710 OZQWJKOXOILFRR-OEYIWLLWSA-N 256.154 2.622 30 50 CFEA N#Cc1cnc(N2CCc3c(Cl)cccc3C2)cn1 133413279 XMZYGPLFVRLOEV-UHFFFAOYSA-N 270.723 2.564 30 50 CFEA CC[C@@H]1CN(C(=O)c2ccccc2C#N)CCN1C(C)C 91350620 JLFPFBDRJCDMGJ-OAHLLOKOSA-N 285.391 2.503 30 50 CFEA N#Cc1ccc(OCCNc2ncnc3ccccc23)cc1 170642963 RWICXVPFGDJXBS-UHFFFAOYSA-N 290.326 2.992 30 50 CFEA C#CCCCC(=O)N1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C 408521808 JWMNZWQWLNRHKG-ZIAGYGMSSA-N 293.407 2.759 30 50 CFEA CC#CC(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 788289433 VFUAKXPVCZFTOD-AWEZNQCLSA-N 294.354 2.861 30 50 CFEA CC(C)[C@]1(CO)CCN(c2ccc(F)cc2C#N)C1 336183172 DOELAODVPWHEFZ-OAHLLOKOSA-N 262.328 2.542 30 50 CFEA C=C(C)CNC(=O)NCc1ccc(OC)c(Cl)c1 156469462 QDQZCYYMSDQHRM-UHFFFAOYSA-N 268.744 2.724 30 50 CFEA CCN(C(=O)[C@@H](C#N)CCc1ccccc1)c1cnn(C)c1 594402891 RSKJNQCVLQVAJE-OAHLLOKOSA-N 296.374 2.546 30 50 CFEA Cc1nc(N2CC[C@H](c3ccncc3)C2)ccc1C#N 599102724 RAEILBZGPZYANU-HNNXBMFYSA-N 264.332 2.651 30 50 CFEA CCC(C#N)(CC)C(=O)N1CC[C@H](c2ccco2)C1 599435511 WYZCAFHVXAQOCO-LBPRGKRZSA-N 260.337 2.925 30 50 CFEA C=CCN(Cc1ccc(F)cc1)C(=O)CCCC(=O)OC 55182857 BIFNMWCQFRTZEL-UHFFFAOYSA-N 293.338 2.684 30 50 CFEA CC#CC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 283069944 DPIHDRQQKPMTNA-UHFFFAOYSA-N 283.371 2.916 30 50 CFEA N#CCSCC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 241701780 QLAGZCDLQPMFKF-TZMCWYRMSA-N 292.379 2.835 30 50 CFEA CC(C)c1ccc(C#N)c(N(C)C[C@H]2CCCN2C)n1 670466687 PRCUUIFLPVYNLX-CQSZACIVSA-N 272.396 2.607 30 50 CFEA C#CCCCOCC(=O)NCc1ccccc1C(C)(F)F 1875360056 XYIIMLOCIYBGIP-UHFFFAOYSA-N 295.329 2.845 30 50 CFEA N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nc1 110284198 WJGKAFCDTLTTIC-NWDGAFQWSA-N 299.280 2.974 30 50 CFEA N#Cc1c(Cl)nsc1N1CCC[C@@H]1c1ccon1 1615058836 XAMQCVZENUTDJD-SECBINFHSA-N 280.740 2.998 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1Cc1ccc(F)cc1F 14879068 JZKBLYFSLNKRFK-CQSZACIVSA-N 294.345 2.622 30 50 CFEA CN(C)c1ccc(/C=C2\NC(=O)c3ccccc3C2=O)cc1 19809196 PGTPQZUIJUIRIU-WJDWOHSUSA-N 292.338 2.720 30 50 CFEA C[C@H](C#N)CNC(=O)N1Cc2ccccc2OC(C)(C)C1 334491305 VGKNRMDGZOYAMW-GFCCVEGCSA-N 287.363 2.529 30 50 CFEA C[C@@H](NCc1cccc(CO)c1)c1ccc(C#N)cc1 224628369 UCFCNRRDGUMVOR-CYBMUJFWSA-N 266.344 2.901 30 50 CFEA Cc1cc(B2OC(C)(C)C(C)(C)O2)c2ccccc2n1 238860530 ZSOIMAQLTPSQCM-UHFFFAOYSA-N 269.153 2.842 30 50 CFEA C[C@H]1c2c(F)cccc2CCN1c1cnc(C#N)cn1 543128033 IHMFDIITXSVYTD-JTQLQIEISA-N 268.295 2.611 30 50 CFEA COC(CNc1ncccc1C#N)(OC)c1ccccc1 585132605 FKPPCDLCFAMDTJ-UHFFFAOYSA-N 283.331 2.511 30 50 CFEA N#Cc1cc(F)c(Nc2cn[nH]c2)cc1Br 589105424 QMHQGPNVBOHJMI-UHFFFAOYSA-N 281.088 2.927 30 50 CFEA CN(C(=O)[C@@H]1CO1)C(c1ccccc1)c1ccccc1 1875372264 BGMJMFAYNVEABP-HNNXBMFYSA-N 267.328 2.633 30 50 CFEA C[C@H]1CCN(CCOc2ccc(C#N)cc2)C[C@@H]1C 16490030 STSLBMIQEBKTIF-KBPBESRZSA-N 258.365 2.915 30 50 CFEA CC1(C)OB(c2cc3c(F)cccc3[nH]2)OC1(C)C 169936247 KQBFUSLFUVLNQM-UHFFFAOYSA-N 261.105 2.606 30 50 CFEA in-vitro Cc1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 198438433 RNOYYQVKCADNNV-UHFFFAOYSA-N 252.550 2.948 30 50 CFEA C[C@H]1CC[C@@H](C)N1C(=O)c1cccc(C#CC(C)(C)O)c1 1506425624 DJPKZRHUAVFBQJ-OKILXGFUSA-N 285.387 2.822 30 50 CFEA CCN1CC[C@@H](CN(C)c2nc(C)c(C)c(C)c2C#N)C1 1529162128 WQVNGCMSKZMQQZ-HNNXBMFYSA-N 286.423 2.657 30 50 CFEA COc1ccc(C(=O)[C@H]2O[C@@H]2c2ccc3c(c2)OCO3)cc1 6793511 DHDKPIIJDRSEOK-IAGOWNOFSA-N 298.294 2.747 30 50 CFEA Cc1c(CNC(=O)c2ccc(C#N)nc2)oc2ccccc12 115101112 VAJFDBASBIDOJL-UHFFFAOYSA-N 291.310 2.938 30 50 CFEA CC(C)(C)[C@@H](CO)Nc1ccc(C(F)(F)F)c(C#N)n1 253395122 MKFAEKJUPNXSLR-SNVBAGLBSA-N 287.285 2.791 30 50 CFEA C(#CCO[C@H]1CCCCO1)CCCO[C@H]1CCCCO1 45027780 BUMZREDAGRIUOY-HZPDHXFCSA-N 282.380 2.856 30 50 CFEA Cc1n[nH]c(C)c1-c1nc2c(cc1C#N)CCCC2 426651924 AXXLQWHGCWLTLG-UHFFFAOYSA-N 252.321 2.839 30 50 CFEA CC(C)c1ccc(C#N)c(N2CCC(N(C)C)CC2)n1 670472671 NAOGFAGCPSCYJY-UHFFFAOYSA-N 272.396 2.607 30 50 CFEA C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H](C2CC2)O1 279324153 OITUIRUNLINFGV-BDJLRTHQSA-N 274.339 2.697 30 50 CFEA CCCN(CC#N)C(=O)c1cn(C)nc1-c1cccs1 195579132 HWDGYZLEEQYCHX-UHFFFAOYSA-N 288.376 2.524 30 50 CFEA Cc1ccc[n+](CC(=O)Nc2cccc(C(F)(F)F)c2)c1 5710703 LTQQGWHYYWVMDK-UHFFFAOYSA-O 295.284 2.940 30 50 CFEA C=CCN1C(=O)CC[C@H]1CCNCc1cccc(C)c1 14957252 XWZRUXOOMDCWGF-INIZCTEOSA-N 272.392 2.652 30 50 CFEA Cc1cc(C)c(C#N)c(SCC(=O)N2CCCCC2)n1 100911 ZOCJVKYOIHAQNJ-UHFFFAOYSA-N 289.404 2.675 30 50 CFEA C=CC[C@@H]1CC=C(Br)[C@@H](CC(C)=O)N1 40457255 FKELFNAVZPIGPY-MWLCHTKSSA-N 258.159 2.551 30 50 CFEA Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1 151685 HQQVYEMQVKDXJX-UHFFFAOYSA-N 272.329 2.668 30 50 CFEA CCc1nc(CC/N=C(/O)C[C@H]2CCOC2)cs1 329724114 BMBPZOTVPDNMLP-SNVBAGLBSA-N 268.382 2.631 30 50 CFEA N#CC1(c2ccccc2)CCN(C(=O)[C@H]2CC23CC3)CC1 97099588 FETBXVWUCBWYMB-OAHLLOKOSA-N 280.371 2.870 30 50 CFEA N#C[C@@H]1C[C@@H]1CN1CCC(OCc2ccccc2F)CC1 888096252 OXYZTIGAJYDQCX-LSDHHAIUSA-N 288.366 2.966 30 50 CFEA C[C@H]1CN(Cc2ccccc2C#N)C[C@]1(O)C1CCC1 1565507033 HBAIMSDIIYZQEN-SUMWQHHRSA-N 270.376 2.541 30 50 CFEA N/C(=C\C(=O)c1ccccc1O)C(Cl)(Cl)Cl 286843 OYVUKFBTWAHZAM-UITAMQMPSA-N 280.538 2.788 30 50 CFEA N#Cc1cc(Br)c(C=O)c(Br)c1 214477454 SLTLJLWNTAIXCV-UHFFFAOYSA-N 288.926 2.896 30 50 CFEA C[S@](=O)CCCNc1cc(C#N)ccc1C(F)(F)F 124330671 DBMZRHLZYCHTSU-LJQANCHMSA-N 290.310 2.758 30 50 CFEA CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC 338577838 AXPYVAFUSVOQRN-UHFFFAOYSA-N 269.352 2.683 30 50 CFEA N#Cc1ccc(OCCOc2ccc(C#N)cc2)cc1 12812150 IGOKKRACOOYNCR-UHFFFAOYSA-N 264.284 2.888 30 50 CFEA in-vitro C=C(C)COc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1 6645445 SGOMJVLXOVSUJC-UHFFFAOYSA-N 288.299 2.683 30 50 CFEA biogenic Fc1cccc(/C=N/n2c(S)nnc2-c2ccccn2)c1 9109939 CHVFGOOBWYDVHO-RQZCQDPDSA-N 299.334 2.650 30 50 CFEA C#Cc1cncc(C(=O)Oc2ccc(C)cc2C)c1 253425287 CFVMUJICESBPLP-UHFFFAOYSA-N 251.285 2.899 30 50 CFEA C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC2(C)C)cc1 154247292 NEBIPSXXHSIWHA-CYBMUJFWSA-N 287.363 2.979 30 50 CFEA C=CCN1C[C@@H](N[C@H](c2ccccc2)C2CC2)CCC1=O 1875280324 SYVFUDHXHDMVEX-FUHWJXTLSA-N 284.403 2.904 30 50 CFEA Cc1cc(N2CCC[C@@H]2[C@@H]2CCCOC2)ncc1C#N 1363730964 PTLHVJVEYGSWLY-UKRRQHHQSA-N 271.364 2.657 30 50 CFEA N#C[C@@H](C1CCCCC1)S(=O)(=O)c1ccccc1 168023367 DYAUIMQCGWLIGS-AWEZNQCLSA-N 263.362 2.933 30 50 CFEA CC1(C)OB(c2ccnc(OCC3CCC3)c2)OC1(C)C 169992846 NJVYCTPTRYBFLA-UHFFFAOYSA-N 289.184 2.560 30 50 CFEA in-vitro C=CCNCC[C@@H]1CCC(=O)N1Cc1cccc(C)c1 12036298 BWNRNGHYAPGARM-INIZCTEOSA-N 272.392 2.652 30 50 CFEA Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)n1C1CC1 169978508 AEEMYOMKWXADOP-UHFFFAOYSA-N 261.174 2.739 30 50 CFEA CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C(F)(F)F)C[C@]2(C=O)C1 2325904081 WDFKRQYIJQPATI-YGOYTEALSA-N 293.285 2.621 30 50 CFEA CC(C)=C[C@@H]1[C@H](C(=O)[C@H](C#N)C(=O)c2nccn2C)C1(C)C 230231672 WWTYEBSGNHZYCD-YNEHKIRRSA-N 299.374 2.550 30 50 CFEA CC(C)S(=O)(=O)CCCSCCC(C)(C)C#N 342009230 AFHGQTJLHTVWMK-UHFFFAOYSA-N 277.455 2.873 30 50 CFEA C=CC[C@@]1(C(=O)O)CCCN(Cc2ccccc2C#N)C1 91382046 HFTNHEYGZDFRKB-QGZVFWFLSA-N 284.359 2.801 30 50 CFEA Cc1nn(C(C)C)c(C)c1CN(C)c1cc(C#N)ccn1 670467528 UHOTUDXSGQDDOL-UHFFFAOYSA-N 283.379 2.984 30 50 CFEA FC(F)(F)c1nc(C(F)(F)F)nc(C(F)(F)F)n1 2040726 LSGBKABSSSIRJF-UHFFFAOYSA-N 285.069 2.928 30 50 CFEA in-vitro N#Cc1cccc([C@H]2CN(CCC3CC3)CCO2)c1 341800805 SXCDYYADJSYWNV-MRXNPFEDSA-N 256.349 2.732 30 50 CFEA C#CC1(OC[C@H](O)CN2C[C@@H](C)C[C@@H](C)C2)CCCCC1 12419827 OCYWTORKQAWKIA-IXDOHACOSA-N 293.451 2.678 30 50 CFEA CC1(C)CC(=O)C=C(B2OC(C)(C)C(C)(C)O2)C1 200985561 CHCPOPVEQVWOHT-UHFFFAOYSA-N 250.147 2.933 30 50 CFEA N#C/C(=N\Nc1ccc(F)cc1)C(=N)N1CCCCCC1 77621 WQYBDDGWPPVYBG-SXXHWBMRSA-N 287.342 2.970 30 50 CFEA C[C@@H](Sc1nc2c(cc1C#N)CCCCC2)C(=O)O 6369737 GTJIZMKGRURWJC-SECBINFHSA-N 276.361 2.787 30 50 CFEA N#Cc1ccccc1OCCCO[C@H]1CCCCO1 170595579 ROJNWOOOACBJCY-HNNXBMFYSA-N 261.321 2.870 30 50 CFEA COc1cc(OC[C@@H](O)c2ccccc2)ccc1C#N 193766970 CGSDHPMLRCBACC-OAHLLOKOSA-N 269.300 2.679 30 50 CFEA CSC1=N/C(=C\c2cccc(OC(C)=O)c2)C(=O)S1 458231 AULGLEWUKPVCFM-XFFZJAGNSA-N 293.369 2.945 30 50 CFEA Cc1cccc(NC(=O)Nc2cccc(C#N)c2)n1 4792063 OVSGTSXIFBUYTD-UHFFFAOYSA-N 252.277 2.906 30 50 CFEA C=C1CSc2nc(=O)c3c(C)c(C)sc3n21 54033 DUXQRPRRXZRSHZ-UHFFFAOYSA-N 250.348 2.651 30 50 CFEA CCn1c(SCCC#N)nnc1-c1ccccc1 4867826 FYXUTRBCHGSWNP-UHFFFAOYSA-N 258.350 2.971 30 50 CFEA COc1ccc(/C=N/S(=O)(=O)c2cccs2)cc1 100811402 MSHYNLJKEQHRBU-UKTHLTGXSA-N 281.358 2.565 30 50 CFEA COc1ccccc1CNC=C1C(=O)CC(C)(C)CC1=O 100444243 YJCJKHFCHXHNDS-UHFFFAOYSA-N 287.359 2.627 30 50 CFEA COC(=O)[C@H](B1OC(C)(C)C(C)(C)O1)c1ccc(F)cc1 170008346 VOSWTOCUZFKLTP-GFCCVEGCSA-N 294.131 2.714 30 50 CFEA N#Cc1cc(Br)cc(C(F)F)c1C(=O)O 263625419 ZUBSRRCTVOFSKM-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA CC#CC(=O)N(CC)[C@H](Cc1ccccc1)[C@@H]1CCCO1 1875370282 ISGSTIOQDDYOFT-SJORKVTESA-N 285.387 2.649 30 50 CFEA N#Cc1ccc(CN[C@H]2CCCO[C@@H]2c2ccncc2)o1 275509460 KFUVLVVOKJQJOV-JKSUJKDBSA-N 283.331 2.556 30 50 CFEA N#Cc1cn(C[C@@H]2CCOC2)c2ccc(Cl)cc2c1=O 170638490 GWVOIJYIHZNWKM-JTQLQIEISA-N 288.734 2.563 30 50 CFEA Cc1c(/N=C/c2ccco2)c(=O)n(-c2ccccc2)n1C 96809693 ORVCQTSBQQLBLZ-GZTJUZNOSA-N 281.315 2.828 30 50 CFEA C[C@@H]1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1 20288984 QSYBDNXNOJIKML-SNVBAGLBSA-N 264.332 2.722 30 50 CFEA in-vitro C=CCN(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 155205884 PTVVONKPECDBFI-UHFFFAOYSA-N 296.292 2.884 30 50 CFEA O=C1C2=C(c3ccccc31)N(O)[C@@H]1CCCCC[C@H]1[N+]2=O 334157336 OJPODJARNMHHDK-CHWSQXEVSA-N 285.323 2.737 30 50 CFEA C=C(C)C[C@H](C)C(=O)Nc1ccc(F)c(C#N)c1N 585128495 CNATYFZJJUARFG-VIFPVBQESA-N 261.300 2.820 30 50 CFEA CCc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 205043278 WVYCAXKWKLZJLI-UHFFFAOYSA-N 262.158 2.557 30 50 CFEA C=CCCC(=O)N1CCO[C@H](Cc2cccc(F)c2)C1 12570554 GSKKKFASPUBMRM-OAHLLOKOSA-N 277.339 2.562 30 50 CFEA C=CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1OC 16196202 BIJSDXPMZRSRTF-WQLSENKSSA-N 291.328 2.584 30 50 CFEA CCNC(=S)N/N=C/c1cc2ccccc2nc1Cl 2521705 YHBUAZKFJCSHDM-LZYBPNLTSA-N 292.795 2.706 30 50 CFEA CSC1=N/C(=C\c2ccc(C(=O)O)cc2)C(=O)S1 4660066 HBHRNIHMLYKCCX-TWGQIWQCSA-N 279.342 2.718 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)[C@@H](C)OCC1CC1 328615785 ZGWPNKOJZXYTMM-MRVWCRGKSA-N 269.385 2.819 30 50 CFEA C[C@@H]1C[C@@]1(C#N)C(=O)N1Cc2ccccc2OC(C)(C)C1 336304108 SBNRXFTYIATCTB-PXAZEXFGSA-N 284.359 2.736 30 50 CFEA CN(C(=S)SC(C)(C)C#N)c1ccncc1 71773574 PYVIBYAVTHICFS-UHFFFAOYSA-N 251.380 2.838 30 50 CFEA N#C[C@@H](NC(=O)c1n[nH]c2ccccc12)C1CCCCC1 176616620 PTRDVNYQXWYIOF-CQSZACIVSA-N 282.347 2.765 30 50 CFEA Cc1cccc([C@@]2(C(=O)N=C3C[C@@H](C)ON3)CC2(F)F)c1 1875330494 ZVGWSWJNZICLAM-QMTHXVAHSA-N 294.301 2.510 30 50 CFEA Cn1c(S[C@H]2CC[C@H](C#N)C2)nc2ccsc2c1=O 278497060 CBQYCKKWBCNYOV-IUCAKERBSA-N 291.401 2.779 30 50 CFEA Cc1ccc(N2CCN(/N=C\c3ccccn3)CC2)cc1 5009180 HMVNYMGCZAHKCT-RGEXLXHISA-N 280.375 2.546 30 50 CFEA O=C(C[n+]1ccc(-c2cccs2)nc1)c1ccccc1O 5897985 TVLNCQNHFORVBD-UHFFFAOYSA-O 297.359 2.686 30 50 CFEA Cc1cc(C#N)cc(N2CCC[C@H]2[C@H]2CCCOC2)n1 591954810 BCVBPHXHWFMDMV-GJZGRUSLSA-N 271.364 2.657 30 50 CFEA C=C(C)CCNC(=O)[C@H]1CC(c2ccccc2C)=NO1 908929019 KTLRDBZFGLNIQJ-OAHLLOKOSA-N 272.348 2.570 30 50 CFEA Cc1ccc(CC(=O)[C@H](C#N)c2nc3ccccc3o2)cn1 821621151 IKHPANIVNYZAAI-ZDUSSCGKSA-N 291.310 2.950 30 50 CFEA C=CCOc1ccc(I)cc1C=O 2860614 OAGHJEIURSEAGT-UHFFFAOYSA-N 288.084 2.669 30 50 CFEA COc1cccc(C#C[C@]2(O)CCC[C@H]3C(=O)CCC[C@@H]32)c1 4532459 ZENPXSROBMXPQX-ZIFCJYIRSA-N 298.382 2.947 30 50 CFEA CC1CCN(CC(=O)[C@H](C#N)c2ccccc2)CC1 4856297 MWWQDTLCATVFMN-OAHLLOKOSA-N 256.349 2.595 30 50 CFEA Cc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)CCC2 4143832 JXBPEWAUFRWNFW-GFCCVEGCSA-N 255.317 2.606 30 50 CFEA CC[C@]1(CO)CCCN(Cc2ccc(C#N)cc2)C1 91745617 QZAFAGUFWSVRPW-INIZCTEOSA-N 258.365 2.543 30 50 CFEA CC(C)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 261361483 SYBDOJXCTAUOEL-UHFFFAOYSA-N 251.179 2.658 30 50 CFEA N#Cc1ccccc1C(=O)NC[C@H]1CCN(C2CCCC2)C1 299757051 IDCKCLLLSASJCD-CQSZACIVSA-N 297.402 2.553 30 50 CFEA CC1(C)OB(c2ccc(CN=[N+]=[N-])cc2)OC1(C)C 169745997 CARNXRHOIGMOQD-UHFFFAOYSA-N 259.118 2.796 30 50 CFEA in-vitro CO[C@@]1(C)CCCN(c2nc3ncccc3cc2C#N)CC1 596217919 PIKFHNWDHUXPES-KRWDZBQOSA-N 296.374 2.897 30 50 CFEA OC[C@H]1C=C[C@@H](/N=C(/O)[C@@H]2CCCCN2C2CCCC2)C1 330296200 JYJJARJWSLOODZ-LZWOXQAQSA-N 292.423 2.677 30 50 CFEA N#CCc1nc(-c2cc3ccccc3oc2=O)cs1 325076 WNOYVVGSHNVEQK-UHFFFAOYSA-N 268.297 2.983 30 50 CFEA C=CCc1ccccc1OC[C@H](O)CNC1CCCC1 2701422 DDRWZNIIZPLDMD-MRXNPFEDSA-N 275.392 2.687 30 50 CFEA COc1ccc(/C=N/Nc2ccccn2)c(OC)c1 4982608 VCBFABXCFGIWDO-MHWRWJLKSA-N 257.293 2.545 30 50 CFEA C=CCN(CC=C)S(=O)(=O)c1ccc(Cl)s1 6698433 STQDNLNUNFXKFQ-UHFFFAOYSA-N 277.798 2.764 30 50 CFEA C=CCOc1ccc(Cl)cc1CN1CC[C@H](CN)C1 67947607 LKZILSQALKEWMJ-GFCCVEGCSA-N 280.799 2.685 30 50 CFEA Cc1nc2c([nH]1)C[C@H](/C(O)=N/[C@H]1COc3ccccc31)CC2 328592750 KNVSKPJXCBSJPI-ABAIWWIYSA-N 297.358 2.913 30 50 CFEA CC(C)(C#N)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 170024174 KRZVGACTXWZULF-UHFFFAOYSA-N 271.169 2.787 30 50 CFEA OC1=Nc2cc(N=C(O)[C@H]3CCC(O)=N3)ccc2CC1 329739965 VDSDCGHRTPFVCP-SNVBAGLBSA-N 273.292 2.928 30 50 CFEA C=C[C@@H]1OCC[C@H]1/N=C(/O)c1csc(C(F)(F)F)n1 331337712 QYBUVVVSIHESMH-SVRRBLITSA-N 292.282 2.810 30 50 CFEA C[C@@H](C(=O)N1CCC(C)(C#N)CC1)c1ccc(O)cc1 584898925 KTCGJBDOTATBCL-GFCCVEGCSA-N 272.348 2.648 30 50 CFEA C=CCOc1ccc(CN[C@@H](C)c2nncn2CC)cc1 952990936 YFLQLQFZFDJMMI-ZDUSSCGKSA-N 286.379 2.714 30 50 CFEA N#CCCN1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 280351167 IHZVKZASLBVZNG-MFKMUULPSA-N 284.281 2.727 30 50 CFEA O=[N+]([O-])c1cccc(/C=N\N=C\c2cccc([N+](=O)[O-])c2)c1 4582712 OFKOPKJTGHUWLZ-CKOAPEAFSA-N 298.258 2.956 30 50 CFEA CC1(C)CCCN(Cc2ccc3c(c2)OCCO3)[C@H]1C#N 225533432 MYJBYPOQMKCBNV-INIZCTEOSA-N 286.375 2.972 30 50 CFEA Cc1ccc(C#N)c(N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)n1 248102851 ODZHSYPBAQMLMH-RDJZCZTQSA-N 296.418 2.572 30 50 CFEA Cc1ccc(CC(=O)[C@@H](C#N)c2nc3ccccc3o2)cn1 821621150 IKHPANIVNYZAAI-CYBMUJFWSA-N 291.310 2.950 30 50 CFEA C=C[C@@](C)(O)C(=O)Nc1cc(Cl)cc(Cl)c1 4655058 FBYYIBNYONAZCU-LLVKDONJSA-N 260.120 2.869 30 50 CFEA biogenic,in-vitro C=CCNC(=O)[C@H](C)Oc1ccc(Br)cc1 2850630 ONDXLFWUFLUGTO-VIFPVBQESA-N 284.153 2.519 30 50 CFEA CCc1nc(/C(O)=N/C[C@H]2CCO[C@@H]2C(C)(C)C)co1 328612222 OBQWRKMGQOEAJR-MFKMUULPSA-N 280.368 2.993 30 50 CFEA O=C(/C=C(/O)C(F)(F)F)c1ccc2c(c1)OCO2 827598162 ABHHLCJTZGOUII-ONNFQVAWSA-N 260.167 2.602 30 50 CFEA O=C1C=C(NC[C@H]2CCCO2)C[C@H](c2ccccc2)C1 12376131 PUIXCYCVBUMQNS-WMLDXEAASA-N 271.360 2.786 30 50 CFEA COc1cccc(OC)c1OCC#CCN1CCCCC1 16622805 SYDPQZFBBHQYGQ-UHFFFAOYSA-N 289.375 2.572 30 50 CFEA C/C(=N\NC(=N)N/N=C(\C)c1ccccc1)c1ccccc1 4530028 PSYDJAOGDPDYGJ-IWGRKNQJSA-N 293.374 2.949 30 50 CFEA C[C@H](Nc1cncc(C#N)n1)[C@@H]1OCCc2sccc21 420645532 YULZFGCFQNNBFF-XPTSAGLGSA-N 286.360 2.524 30 50 CFEA C=CCN(C(=O)c1cc(C)nc(O)c1)c1ccccc1 120535165 XUYVLMWLBIVKHY-UHFFFAOYSA-N 268.316 2.928 30 50 CFEA N#Cc1cccc(Cl)c1N1CCC(C(=O)O)CC1 262174688 VQJXEZLXSDSEGT-UHFFFAOYSA-N 264.712 2.513 30 50 CFEA C=CCCCNC(=O)[C@@H]1CCC(=O)c2ccccc21 285148203 YOKFYVMDSDLTJK-CQSZACIVSA-N 257.333 2.829 30 50 CFEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(O)ccc1Cl 290929297 RSDLBPKWJZXIFA-HZMBPMFUSA-N 295.766 2.757 30 50 CFEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3[C@@H]2[C@@H]2CC[C@H]23)cc1 248030115 PWROZVJTPAXOPA-RYPNDVFKSA-N 278.373 2.745 30 50 CFEA Cc1[nH]c(CN(C)Cc2nc3ccccc3[nH]2)cc1C#N 584890639 FYPSPLVNPVYIBN-UHFFFAOYSA-N 279.347 2.703 30 50 CFEA C[C@H](NC(=O)c1cc(C#N)cn1C)C1=CCCCC1 670444902 ZBSWAHYEDZTQJZ-NSHDSACASA-N 257.337 2.515 30 50 CFEA CCN1C(=O)/C(=N\Nc2ccccc2O)c2ccccc21 1875338669 GXXZYFGDWSAAJD-SDXDJHTJSA-N 281.315 2.575 30 50 CFEA O=C(O)[C@H](/N=C/c1ccccc1O)c1ccccc1 19878598 ARFOXNLXIVCEMA-DWKHYPNZSA-N 255.273 2.637 30 50 CFEA O/C(=N/C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(O)nc1 328612992 QNZHXDKCJBRDRJ-CZUORRHYSA-N 298.342 2.870 30 50 CFEA N#Cc1cccc(CCNc2ncccc2[N+](=O)[O-])c1 253426289 MKRYILMQFJYMGS-UHFFFAOYSA-N 268.276 2.516 30 50 CFEA Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(O)c1 4172037 VNYLJYFMZAOGDD-NGYBGAFCSA-N 297.236 2.958 30 50 CFEA CN(C)Cc1ccc(-c2cccc(C#N)c2)c(CO)c1 2356137691 VPLULSOBXZAQHA-UHFFFAOYSA-N 266.344 2.779 30 50 CFEA CC(C)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 170008841 JZLXRHFINZUGIA-UHFFFAOYSA-N 293.191 2.623 30 50 CFEA CC1(C)[C@H]2C[C@@H]3OB([C@H](N)Cc4ccccc4)O[C@]3(C)[C@@H]1C2 230830722 VBPSRSJQIVBEOE-XLKGFZLASA-N 299.223 2.824 30 50 CFEA C[C@H](C#N)[C@@]1(O)c2ccccc2CCc2ncccc21 252491919 LZNKDRZWHJIFMI-SJKOYZFVSA-N 264.328 2.576 30 50 CFEA CC1(C)OB(c2ccnc(NC3CCCC3)c2)OC1(C)C 169794677 QCTTWAKKRFCHKJ-UHFFFAOYSA-N 288.200 2.735 30 50 CFEA in-vitro C=CCn1c(S)nnc1COc1ccc(CC)cc1 5967834 XDSSEUKLABJYSX-UHFFFAOYSA-N 275.377 2.894 30 50 CFEA C#CC(C)(C)OC[C@H](O)CN1C(C)(C)CCCC1(C)C 12384478 OFWCHADDLMSKOU-CQSZACIVSA-N 281.440 2.819 30 50 CFEA Cc1cc(C)c(CN=c2nc(C#N)cc(C)[nH]2)c(C)c1 587560621 OPFZEBHTZSGPOA-UHFFFAOYSA-N 266.348 2.616 30 50 CFEA C#CCCC(=O)N(Cc1ccc(OCC)cc1)C1CC1 55568688 ZCVIFQPZFJBNHT-UHFFFAOYSA-N 271.360 2.990 30 50 CFEA C[C@@](O)(C#Cc1ccccc1)[C@](C)(O)C#Cc1ccccc1 25757961 JDLOQXQSHZJRFJ-WOJBJXKFSA-N 290.362 2.592 30 50 CFEA C[C@H]1CC[C@H](CO)CN1c1nc(C(F)(F)F)ccc1C#N 119384415 REQUVGZXRVWRRS-UWVGGRQHSA-N 299.296 2.569 30 50 CFEA O=C1C[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 1430810 AQWQXSUKPCQZPN-NSHDSACASA-N 275.735 2.951 30 50 CFEA Cc1cc(C#N)nc(N2Cc3ccccc3N(C)C[C@@H]2C)n1 242389457 ZXIHWTFXWJXLOR-ZDUSSCGKSA-N 293.374 2.502 30 50 CFEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1OCC#N 169794746 JUBYKYNIXFNKIL-UHFFFAOYSA-N 287.168 2.505 30 50 CFEA in-vitro CC1(C)OB(c2cc(OC(F)F)ccc2F)OC1(C)C 220700730 MXFHEYMKFMZCGP-UHFFFAOYSA-N 288.074 2.726 30 50 CFEA CCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1 4813280 LXUUHLLCGWVLBF-AWEZNQCLSA-N 273.332 2.771 30 50 CFEA Cc1cccc(C[C@@H](C)N=c2cc(C)c(C#N)c(C)[nH]2)n1 2356167777 BKCSYEHQLHPMHE-CYBMUJFWSA-N 280.375 2.739 30 50 CFEA CC(C)(C#N)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170027111 XJOJSFBFKRCJTK-UHFFFAOYSA-N 271.169 2.787 30 50 CFEA N#Cc1cccc(/C=C/C(=O)N2CC[C@H]3OCCC[C@@H]3C2)c1 119983262 IFJJSKDHJYIALO-KGVXHEBISA-N 296.370 2.599 30 50 CFEA Cc1cccc(NC[C@@H]2CCN(C[C@@H](C#N)CCC#N)C2)n1 222204903 JNBZZMLZJCKWKT-CVEARBPZSA-N 297.406 2.567 30 50 CFEA C=CC[C@@H](C(=O)NCc1cnoc1C)c1ccccc1 1304111178 KPKYOODNPSIUIE-OAHLLOKOSA-N 270.332 2.959 30 50 CFEA Cc1cnn(C2CCN(c3ccc(C#N)c(C)n3)CC2)c1 1615609110 FITCMJGXDUEDLK-UHFFFAOYSA-N 281.363 2.608 30 50 CFEA Cc1ccc(S(=O)(=O)OCCc2ccccc2)cc1 1726706 CVPPUZPZPFOFPK-UHFFFAOYSA-N 276.357 2.943 30 50 CFEA Cc1cccc(OCC(=O)O/N=C(\N)c2cccc(C)c2)c1 6884472 LNXWJRQDQGVCRN-UHFFFAOYSA-N 298.342 2.546 30 50 CFEA N#Cc1ccc(CN[C@H](C(N)=O)c2ccccc2)cc1Cl 619746961 WQYVSYPKPSKYCZ-HNNXBMFYSA-N 299.761 2.528 30 50 CFEA C=C1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1 1671027600 ODOUTZQLXNAAEU-CYBMUJFWSA-N 291.782 2.500 30 50 CFEA CCOC(=O)[C@H]1[C@@H](B2OC(C)(C)C(C)(C)O2)C1(C)C 1857779779 JXXBRNXZNXWTOH-NXEZZACHSA-N 268.162 2.668 30 50 CFEA CC[C@@H](C)NC=C1C(=O)CC(c2ccccc2)CC1=O 102884278 CNGRYLDSHKKVRW-PUODRLBUSA-N 271.360 2.974 30 50 CFEA CCCCCC/C=C/[N+]([O-])=N[C@H](COC)[C@@H](C)O 100307376 BCPWSYQGYBTINM-IJXFRWFXSA-N 258.362 2.829 30 50 CFEA in-vitro C[C@H](NC(=O)C(F)(F)Cl)c1ccc(C#N)cc1 152952485 CVCHBDYDECLIPW-ZETCQYMHSA-N 258.655 2.567 30 50 CFEA C#C[C@@H](NCc1cccc(OC(F)(F)F)c1)[C@H]1CCCO1 170084446 KFQKYHKHSOPEJC-ZIAGYGMSSA-N 299.292 2.856 30 50 CFEA N#C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)s1 598091318 BXRQIYYYOOEXSI-DTWKUNHWSA-N 252.314 2.699 30 50 CFEA O=C(O)c1c(F)c(F)c(C(F)(F)F)c(F)c1F 2382166 VSDRQVXQXFLZEG-UHFFFAOYSA-N 262.080 2.960 30 50 CFEA in-vitro CN1CCC[C@H]1C(O)=Nc1ccc2nnc(C3CCC3)n2c1 330325899 UWJLTGSOMZQKQP-ZDUSSCGKSA-N 299.378 2.679 30 50 CFEA C[C@@H]1CC[C@H]2CNC(=NC[C@H]3CCC34CCC4)N2C1 2325864230 JPUNPXWAERMZPY-MCIONIFRSA-N 261.413 2.626 30 50 CFEA C#CC(CC)(CC)NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)O 6699019 RJFHPWBXNBLSSA-ZIAGYGMSSA-N 291.391 2.742 30 50 CFEA C=CCN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 55060312 SYUFSJOSRUZOHF-UHFFFAOYSA-N 298.308 2.649 30 50 CFEA C[C@H]1CC[C@@H](CO)CN1c1nc(C(F)(F)F)ccc1C#N 119384722 REQUVGZXRVWRRS-VHSXEESVSA-N 299.296 2.569 30 50 CFEA C=CCN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 20160962 RTWQNEISAJDMKN-UHFFFAOYSA-N 299.201 2.937 30 50 CFEA COc1cccc([C@H]2Nc3ccccc3C(=O)N2O)c1 374743 BRVSWDGLHOBBKR-AWEZNQCLSA-N 270.288 2.651 30 50 CFEA N#Cc1ccccc1C(=O)N[C@H]1COC2(CCCCC2)C1 218983089 NCCUFRDCJDEKJJ-CQSZACIVSA-N 284.359 2.780 30 50 CFEA CN(CCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 241644498 PRIAGQZDFWAQPW-OLZOCXBDSA-N 285.174 2.797 30 50 CFEA O=C(O)c1ccc(N=Cc2ccc(O)cc2O)cc1 254762244 BYHNHDIOEVRDLV-UHFFFAOYSA-N 257.245 2.547 30 50 CFEA CCOC(=O)[C@@H]1[C@H](B2OC(C)(C)C(C)(C)O2)[C@@H]1C1CC1 1875389911 NCVQUOXJXLWUEN-GRYCIOLGSA-N 280.173 2.668 30 50 CFEA N#Cc1ccc(-c2cccc(CN3CCOCC3)c2)cc1N 1875291494 AYPSAJRNUQTZGE-UHFFFAOYSA-N 293.370 2.640 30 50 CFEA N#Cc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C2)C1 1074578398 RBOOBAIFQQDSQM-STQMWFEESA-N 254.333 2.820 30 50 CFEA CO/N=C(\C)c1ccc(S(=O)(=O)C2CCCC2)cc1 222076438 NVOYGKILHOMBHI-RVDMUPIBSA-N 281.377 2.773 30 50 CFEA OC1=C/C(=N/c2cccc(OC(F)(F)F)c2)CN1 1848443890 OCGZPQOULVLNJX-PXNMLYILSA-N 258.199 2.660 30 50 CFEA CCOC(=O)C1=C(C)N/C(=C/c2ccccc2Cl)C1=O 4649522 OTAOKGOGCOHONC-XYOKQWHBSA-N 291.734 2.690 30 50 CFEA CN(C)/C=N/c1c(C#N)cnn1-c1ccc(F)c(Cl)c1 4300531 MNCYLHJHZOUDLB-CAOOACKPSA-N 291.717 2.758 30 50 CFEA in-vitro C=CCNC(=O)CCCOc1ccc(Cl)cc1 1773839 CWLJMJIMJSBOHO-UHFFFAOYSA-N 253.729 2.801 30 50 CFEA C=CCN(Cc1ccc(OC)nc1)Cc1ccco1 55370292 IBOJCJMTZXKGLS-UHFFFAOYSA-N 258.321 2.871 30 50 CFEA CC(C)(C)c1ncc2c(n1)CN(c1cccc(C#N)n1)C2 67725842 WETSDOAHJMBMMK-UHFFFAOYSA-N 279.347 2.561 30 50 CFEA CC1(C)OB(c2cc(Cl)c(F)c(C=O)c2)OC1(C)C 170005102 XJBYAIJALZPNEP-UHFFFAOYSA-N 284.523 2.591 30 50 CFEA CCc1cc(-c2cc(C(C)C)nc(N)c2C#N)[nH]n1 67714497 MQHXSANWDIJNTE-UHFFFAOYSA-N 255.325 2.611 30 50 CFEA COC(=O)[C@H]1CCN(c2c(Cl)cccc2C#N)C[C@H]1C 277029220 ZQMCACZYFVRNBF-PWSUYJOCSA-N 292.766 2.847 30 50 CFEA COc1ccc(COc2cccc(N)c2C#N)cc1 118843001 CKJULWXMOGYMQL-UHFFFAOYSA-N 254.289 2.728 30 50 CFEA in-vitro Cc1cc(C#N)cc(N2CCC[C@H]2[C@@H]2CCCOC2)n1 591954809 BCVBPHXHWFMDMV-CABCVRRESA-N 271.364 2.657 30 50 CFEA CC(C)(C)OC(=O)NC1(C=O)CC2(CCCC2)C1 1857784839 NFFYIOJVHPEPND-UHFFFAOYSA-N 253.342 2.803 30 50 CFEA Cc1cc(C)c(C#N)c(NC[C@@H](O)c2ccsc2)n1 218913232 FFYXODLVZOAEFZ-CYBMUJFWSA-N 273.361 2.777 30 50 CFEA C=CCNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2951802 YXWJCHRJSVOPOY-UHFFFAOYSA-N 272.260 2.771 30 50 CFEA C[C@@H]1CN(CCCCOc2ccccc2C#N)C[C@@H](C)O1 20653453 MFVDANBNLQYMGT-HUUCEWRRSA-N 288.391 2.826 30 50 CFEA CCOC(=O)c1cc(Br)c(F)c(C#N)c1 263625224 XVGMMPPUJYDUMX-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA CC#CC(=O)N[C@H](CC1CCCCC1)c1ncccn1 1875363045 AKCHWMYHNCQVKY-CQSZACIVSA-N 271.364 2.628 30 50 CFEA C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccs1 19959621 JQRQTYFSDVVJIA-OQPBUACISA-N 286.360 2.608 30 50 CFEA CCOC(=O)[C@H]1[C@H](C(C)C)[C@H]1B1OC(C)(C)C(C)(C)O1 1857779458 VPNDMGPIMQLSHB-SDDRHHMPSA-N 282.189 2.914 30 50 CFEA C#CCCN1CCC(c2nc3ccccc3[nH]2)CC1 225478224 HMVOTTQEUSNEOF-UHFFFAOYSA-N 253.349 2.766 30 50 CFEA CCn1cc(/C=C2/CCc3ccc(C)cc3C2=O)nn1 899364232 OFWGPTNPRMBTTG-LCYFTJDESA-N 267.332 2.819 30 50 CFEA N#Cc1c(NC(=O)CCC(=O)O)sc2c1CCCCC2 4181597 YEQFYCUDSXWGKM-UHFFFAOYSA-N 292.360 2.692 30 50 CFEA C=C1C=C[C@H]2C[C@@]1(C)CN2S(=O)(=O)c1ccc(C)cc1 101042936 PYGJGBILVVWKQB-HOCLYGCPSA-N 289.400 2.890 30 50 CFEA Cc1cccc2c1[N+](Cc1ccccc1)C(=O)C2=NO 343516874 FYBBXEMPFISRIH-UHFFFAOYSA-N 266.300 2.685 30 50 CFEA C=C(Br)CN[C@@H](COCC)C(C)C 225475490 JDLURHPLVXVAGD-JTQLQIEISA-N 250.180 2.546 30 50 CFEA Cc1nc(C(F)(F)F)ncc1CN1CCC(C)(C#N)CC1 670447605 ZKYKOEZBWLQSHS-UHFFFAOYSA-N 298.312 2.930 30 50 CFEA Cc1cccc(NC(=S)N/N=C/c2ccco2)c1 65214 KXLGFSQJDTYOEJ-NTEUORMPSA-N 259.334 2.909 30 50 CFEA CC1(C)OB(c2ccc3ncccc3c2)OC1(C)C 169743532 VMFALDWCEQUFSX-UHFFFAOYSA-N 255.126 2.534 30 50 CFEA N#Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 303956 VMBGDNJOKSZBJR-UHFFFAOYSA-N 272.329 2.500 30 50 CFEA N#Cc1nn(Cc2ccccc2F)c2ncc(F)cc12 113253935 GPEUANAWZCBBHU-UHFFFAOYSA-N 270.242 2.629 30 50 CFEA CSc1nncn1/N=C/c1ccc(Br)cc1 255323 JKTHBBSHWYJYSY-AWNIVKPZSA-N 297.181 2.645 30 50 CFEA CC1(C)CCCN(C(=O)c2cncc(Cl)c2)[C@H]1C#N 296958990 YFDTXCXZCLXHAW-LBPRGKRZSA-N 277.755 2.889 30 50 CFEA CCOC(=O)C1CCN([C@H](C#N)c2ccccc2)CC1 43220547 JHCYDAZKJXDNQS-OAHLLOKOSA-N 272.348 2.526 30 50 CFEA in-vitro CCCCS[C@@H](C)C(=O)Nc1cccnc1C#N 952884135 ZIWUHGFNASJQFX-JTQLQIEISA-N 263.366 2.814 30 50 CFEA CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 5686967 YNWDYKLIIQOQKU-OAHLLOKOSA-N 293.322 2.895 30 50 CFEA CCOC(=O)[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 169745237 ZREZDODZGZVRBD-NSHDSACASA-N 280.173 2.907 30 50 CFEA COc1ccc(/C=N/Nc2nc3ccccc3o2)cc1O 3909468 OOAQOQQMVJTXIL-CXUHLZMHSA-N 283.287 2.988 30 50 CFEA N#Cc1c(F)cccc1N1CCO[C@H](c2nccs2)C1 263652223 BYCYUERQRAWYPL-ZDUSSCGKSA-N 289.335 2.732 30 50 CFEA C[C@@H]1/C=C\C=C/[C@H]2[C@H](/C=C\1)C(C#N)(C#N)C2(C#N)C#N 101137906 VROSBNGGMQNCCD-UXYKHLISSA-N 260.300 2.618 30 50 CFEA Cc1cc(=NC[C@@H]2CSc3ccccc32)c(C#N)c[nH]1 425271573 VKDDGYGRZNXFDT-CYBMUJFWSA-N 281.384 2.985 30 50 CFEA Cc1cc(Br)cc(C(=O)N[C@H](C)CC#N)c1 124251512 AULXBHNUQRPWTA-SECBINFHSA-N 281.153 2.790 30 50 CFEA CCOC(=O)c1cc(Br)cc(F)c1C#N 263624466 QTPVJEUKVBCZCY-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA C=CCNC(=O)[C@@H]1CC(Cc2cccc3ccccc23)=NO1 12327980 TUKPYECPCVJVBT-KRWDZBQOSA-N 294.354 2.829 30 50 CFEA C#CCN(Cc1ccccc1)C[C@@H]1CC2(CCCC2)C(=O)O1 2325899802 XZGREARUZRCFBK-KRWDZBQOSA-N 297.398 2.998 30 50 CFEA N#Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1 38659 QTUDIOZTVSGIKA-UHFFFAOYSA-N 266.256 2.509 30 50 CFEA CCCCCCCCNS(=O)(=O)c1ccc(N)cc1 1621079 NFFFEINZRAHCOK-UHFFFAOYSA-N 284.425 2.908 30 50 CFEA CC1(C)CC(=O)C(=CNc2ccccc2[N+](=O)[O-])C(=O)C1 100807133 PDXNAHGRGNPVEQ-UHFFFAOYSA-N 288.303 2.849 30 50 CFEA N#Cc1ccc(N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1C(F)(F)F 252894242 ZBYCDYNTYHJYNS-VHRBIJSZSA-N 296.292 2.784 30 50 CFEA C[C@@H]1CN/C(=N/Cc2cccc(OCc3ccccc3)c2)N1 261552363 RFMHYINWFBGGPA-CQSZACIVSA-N 295.386 2.703 30 50 CFEA CNc1nccnc1-c1ccc(C(C)(C)C#N)cc1 216383785 PAHOIJONVLAXLC-UHFFFAOYSA-N 252.321 2.986 30 50 CFEA C[C@@H]1CCCC[C@@H]1C(=O)N1CC(=O)Nc2ccc(C#N)cc21 332306504 OIGDSGDCUFCSOD-YPMHNXCESA-N 297.358 2.670 30 50 CFEA N#Cc1cccnc1N1CCCC[C@H]([C@@H]2CCOC2)C1 897567450 BRMBDFVHQIIBDX-LSDHHAIUSA-N 271.364 2.596 30 50 CFEA Cc1cc(N2CCC[C@@H]2[C@H]2CCCOC2)ncc1C#N 1363730958 PTLHVJVEYGSWLY-DZGCQCFKSA-N 271.364 2.657 30 50 CFEA N#Cc1nc(NCc2ccc(N)nc2)ccc1C(F)(F)F 225697100 WQYCIQGKVLLBBX-UHFFFAOYSA-N 293.252 2.561 30 50 CFEA CCCCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C 206434097 USNVEVYTNAMJOH-UHFFFAOYSA-N 291.200 2.868 30 50 CFEA Cc1ccccc1/C=N/n1c(S)nnc1-c1ccncc1 1302975 QILIBQOQHSMNSQ-LICLKQGHSA-N 295.371 2.819 30 50 CFEA Cc1cc(C)cc([C@@H]2CCN(c3cnc(C#N)cn3)C2)c1 129790506 IHBNMIHHTFUMLD-CQSZACIVSA-N 278.359 2.959 30 50 CFEA Cc1cc(C#N)c(NCc2cccc(CO)c2)nc1C 952867574 PSXNZDUJZVLJJE-UHFFFAOYSA-N 267.332 2.675 30 50 CFEA C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1 2838023 AQMJKODHLTZTGP-UHFFFAOYSA-N 280.327 2.855 30 50 CFEA C=CC[C@@H]1C=CC[C@@H](CC=C)N1C(=O)CCC(=O)O 296323 WBXPWEDSQDDQSJ-CHWSQXEVSA-N 263.337 2.529 30 50 CFEA O/N=C1/N[C@@H](/C=C/c2ccccc2)Nc2ccccc21 4964259 FMOSHFOTHALXFD-NKSUMMKUSA-N 265.316 2.877 30 50 CFEA CCO/C=N/c1c(C#N)c(CC#N)nn1-c1ccccc1 100165366 IKAUHHFTILTBJG-WOJGMQOQSA-N 279.303 2.506 30 50 CFEA Cc1cc(C)c(C#N)c(N2CCC3(CCOCC3)CC2)n1 71775696 RXRYIVONOIBEKU-UHFFFAOYSA-N 285.391 2.967 30 50 CFEA C=CCC(O)(CC=C)CN[C@H]1CCN(c2ccccc2)C1 820449634 ONWFDWINFSCTER-INIZCTEOSA-N 286.419 2.738 30 50 CFEA Clc1c[nH]ccc1=N/N=C/c1cnc(-c2ccccc2)[nH]1 1875260992 PJKFLSCGDMGQFR-DJKKODMXSA-N 297.749 2.993 30 50 CFEA C#C[C@H]1CC[C@H](N(Cc2ccn(CC)n2)C(=O)C=C)CC1 1875388906 VAWBPSCYOFNWDE-KOMQPUFPSA-N 285.391 2.610 30 50 CFEA CCOc1ccc(/C=N/N=C2/C(=O)Nc3ccccc32)cc1 276338 GASAVLGPDREFCR-WOJGMQOQSA-N 293.326 2.861 30 50 CFEA C/C(=N/N=C1\NC(=O)[C@@H](C)S1)c1ccc(Cl)cc1 5061367 BFDGLHFZBLDWBW-YCAXJWCXSA-N 281.768 2.672 30 50 CFEA Cc1c(O)ccc2c1O/C(=C\c1cccnc1)C2=O 11731164 LRDGARJOLZMYEK-QPEQYQDCSA-N 253.257 2.712 30 50 CFEA biogenic CC/C(=N\NS(=O)(=O)c1ccccc1)c1ccccc1 13952954 XDQDZXNISIVDCT-FOCLMDBBSA-N 288.372 2.779 30 50 CFEA COc1nccc(N2CCC3(C=C(C)CCO3)CC2)c1C#N 2356136469 VZOJXAHJCCAQPR-UHFFFAOYSA-N 299.374 2.667 30 50 CFEA CC(C)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 170007500 YHZRYTDZRBSVNI-UHFFFAOYSA-N 293.191 2.623 30 50 CFEA Cc1nc2c(s1)[C@@H](N(C)c1cncc(C#N)n1)CCC2 333846544 MKUHZZQVNNERAI-LBPRGKRZSA-N 285.376 2.627 30 50 CFEA CN(CCC[C@H]1CCCO1)C(=O)c1cccc(C#N)c1 67514618 VBEMZZMVJIPZIM-HNNXBMFYSA-N 272.348 2.589 30 50 CFEA CC(O)=Nc1ccn([C@@H]2CCN(c3ccc(C#N)cc3)C2)n1 328613164 QYCXEYZKTAQURQ-OAHLLOKOSA-N 295.346 2.814 30 50 CFEA CCC(CC)(CN[C@@H]1CCC[C@@H](C#N)C1)C(=O)O 263075020 QJVJHNQSRWNQMV-VXGBXAGGSA-N 252.358 2.549 30 50 CFEA CN(C)CCOc1ccccc1/C=C/C(=O)c1cccnc1 6378926 GIVLPDPMUOHCDQ-MDZDMXLPSA-N 296.370 2.918 30 50 CFEA N#Cc1nccnc1N1CCC(COc2ccccc2)CC1 253393170 WLNFHIBGMFKBHN-UHFFFAOYSA-N 294.358 2.644 30 50 CFEA N#Cc1cccc(CCNc2ccc([N+](=O)[O-])cn2)c1 241837480 SKMKACOYQPGYDA-UHFFFAOYSA-N 268.276 2.516 30 50 CFEA C[C@@H]1C2=C([C@H]3C=C[C@H]2C3)[C@H](C)[C@H]2C(=O)C=CC(=O)[C@H]12 104295366 HOXQAINAQSRQIE-NWPADQBGSA-N 254.329 2.715 30 50 CFEA C=CCN(Cc1cccc(OC)c1)C(=O)c1cccn1C 55199397 UOAXRZBMQRAWOW-UHFFFAOYSA-N 284.359 2.862 30 50 CFEA N#Cc1ccc2c(n1)CCN(C(=O)OCc1ccccc1)C2 95630973 SWXVOBKLOXXOKT-UHFFFAOYSA-N 293.326 2.648 30 50 CFEA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(C#N)c1 188712627 AGEQQXQMBZXBSO-CABCVRRESA-N 286.375 2.739 30 50 CFEA Cc1ccc(S(=O)(=O)/N=C(\O)NC2CCCCC2)cc1 1514 RIGBPMDIGYBTBJ-UHFFFAOYSA-N 296.392 2.520 30 50 CFEA in-man C=CCn1c(S)nnc1[C@@H](C)Oc1ccc(OC)cc1 6525426 IVMYIAUJRKKCNH-SNVBAGLBSA-N 291.376 2.901 30 50 CFEA in-vitro C=CCC[C@@H](CN(C)Cc1cccnc1)Oc1ncccn1 67514336 MKQAWMWJLVEWTK-INIZCTEOSA-N 298.390 2.717 30 50 CFEA Cc1cccc(NC[C@@H]2CCN(c3cc(C#N)ccn3)C2)n1 283711871 DYOFJYQSKYCDME-HNNXBMFYSA-N 293.374 2.595 30 50 CFEA CSc1nc2cc(-c3ccc(C)cc3)nn2c(N)c1C#N 215881625 OYTRRLORQIAXNN-UHFFFAOYSA-N 295.371 2.881 30 50 CFEA CN1/C(=N/Cc2ccccc2)NC[C@@H]1c1ccc(F)cc1 605787116 BSDYDDSOJXAXQA-MRXNPFEDSA-N 283.350 2.958 30 50 CFEA C[C@H]1CCC[C@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C1 298486842 WPDFAPJWHMIZRH-YOEHRIQHSA-N 299.418 2.685 30 50 CFEA COC(=O)[C@@H]1CCN(c2cc(Cl)ccc2C#N)C[C@H]1C 276901689 MITRNZCWZUTMEF-ZWNOBZJWSA-N 292.766 2.847 30 50 CFEA CC1(C)CCCN(C(=O)c2ncc(F)cc2F)[C@@H]1C#N 278046772 VLAQWCYAJKHANU-LLVKDONJSA-N 279.290 2.514 30 50 CFEA Cc1ccccc1/C=N/N1C(=O)c2ccccc2C1=O 65386 ASFFCTSTKPKLHK-LICLKQGHSA-N 264.284 2.625 30 50 CFEA Cc1ccc(/C(N)=N/OC(=O)c2ccccc2F)cc1 4685107 ZGKSZCUWQVVKLP-UHFFFAOYSA-N 272.279 2.611 30 50 CFEA N#CCCCC(=O)N1CCC(Nc2ccccc2F)CC1 328594130 SSMGNUOBWUYXCF-UHFFFAOYSA-N 289.354 2.922 30 50 CFEA C#CC[C@@H](C(=O)OCCOc1cncc(Cl)c1)C1CC1 2325802950 HDDGCLHNDJDBOR-CQSZACIVSA-N 293.750 2.707 30 50 CFEA C[C@@H]1CC[C@H]2CNC(=NC[C@H]3CCCC3(C)C)N2C1 2325864668 VXSLQRZPOLNMPA-MCIONIFRSA-N 263.429 2.872 30 50 CFEA Cc1ccc(S(=O)(=O)NN=C2C=CC(C)(C)C=C2)cc1 3132164 BGEUILCLNLFRKP-UHFFFAOYSA-N 290.388 2.782 30 50 CFEA CN(C(=O)CSc1ncccc1C#N)c1ccccc1 7051349 XMOSJBGCUWFJHJ-UHFFFAOYSA-N 283.356 2.708 30 50 CFEA C=C(C)CN(C)C(=O)[C@@H]1CCCN(Cc2ccco2)C1 55153437 UHBHADIXYIJKJI-CQSZACIVSA-N 276.380 2.526 30 50 CFEA CC[C@@H](CC(F)(F)F)/N=C(/O)c1snnc1C 331165864 SLBOESGXWLWZNC-LURJTMIESA-N 267.276 2.882 30 50 CFEA C=C(C)COCCNC(=O)c1cc(C2CCCCC2)n[nH]1 131958508 BKNFHJOGANYYSY-UHFFFAOYSA-N 291.395 2.780 30 50 CFEA CC#CC(=O)N[C@H](Cn1cnc2cc(C)c(C)cc21)C1CC1 1875363236 JZRGYKIXDBDIAC-MRXNPFEDSA-N 295.386 2.571 30 50 CFEA C#CCCC1(CCC(=O)N2CCO[C@@H]3CCCC[C@H]32)N=N1 952882056 LDZBVDFIJKADEB-ZIAGYGMSSA-N 289.379 2.512 30 50 CFEA N#Cc1c(-c2ccccc2)cc(C[C@@H]2CCOC2)nc1N 952993182 QJHDGGZXCJLSRE-LBPRGKRZSA-N 279.343 2.781 30 50 CFEA CN(Cc1c[nH]c(C#N)c1)[C@H](c1ccccn1)C1CC1 952984903 CHAAIPANIUXBCR-INIZCTEOSA-N 266.348 2.864 30 50 CFEA C=CCCC(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 190072474 WLLGEFUSPZORCL-UHFFFAOYSA-N 296.374 2.720 30 50 CFEA CC(C)(C(=O)Nc1cc(C#N)ccc1O)c1ccc(O)cc1 242305046 YUHSRTWGVQGKJX-UHFFFAOYSA-N 296.326 2.886 30 50 CFEA COc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 190146 QWRSBSOYNCGEOK-UHFFFAOYSA-N 273.332 2.949 30 50 CFEA C#Cc1cccc(NC(=O)COc2ccccc2OC)c1 443250 UKQJCGVJKVJSNB-UHFFFAOYSA-N 281.311 2.694 30 50 CFEA CCCN(CCC)C(=O)C[n+]1csc2ccccc21 2874932 PTSRRYNDIIFHJX-UHFFFAOYSA-N 277.413 2.837 30 50 CFEA CC1CCC(CC[C@](C)(O)C#CCN(C)C)CC1 2999641 HLJNBTWVTPADKY-UYSNPLJNSA-N 251.414 2.909 30 50 CFEA N=C(O)CN1C[C@@H](F)C[C@H]1C/N=C(/O)CC1=CCCCC1 328605417 NIXZXILNSGAVNF-STQMWFEESA-N 297.374 2.781 30 50 CFEA Cc1c[nH]c2ccc(B3OC(C)(C)C(C)(C)O3)cc12 196784135 ZBUVLTNGYVADFR-UHFFFAOYSA-N 257.142 2.776 30 50 CFEA Cc1nc(-n2cccc2)sc1C(=O)/C=C/N(C)C 221590477 SUOJPZZFOQGCMP-RMKNXTFCSA-N 261.350 2.500 30 50 CFEA O=C1C=CC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@]23C=C[C@]12CC=CC3 254386587 JXEJUTYOEIZHKE-QZBSTAEWSA-N 264.324 2.635 30 50 CFEA N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc2nc(S)oc2c1 170651931 KIPGVIAUGOCAOT-VHSXEESVSA-N 287.344 2.539 30 50 CFEA COc1cc(C#N)ccc1CN(CCO)c1ccccc1 305728260 MLLQRDIRHDRXFU-UHFFFAOYSA-N 282.343 2.566 30 50 CFEA CC(C)(C)OC(=O)C[C@H]1C[C@@H](CC#N)OC(C)(C)O1 4284040 DPNRMEJBKMQHMC-GHMZBOCLSA-N 269.341 2.542 30 50 CFEA in-vitro Cc1ccc(CN2CCN(/N=C/c3ccccn3)CC2)cc1 19879142 VVNOZFOFYVATOF-XSFVSMFZSA-N 294.402 2.542 30 50 CFEA N#Cc1cc(CN2C[C@@H](O)Cc3ccccc32)ccc1F 390835204 GOXXDZLLAVGHHG-HNNXBMFYSA-N 282.318 2.621 30 50 CFEA CC(C)(C)[C@](C)(O)C#CC#C[C@@](C)(O)C(C)(C)C 2492446 XMWWMDJAIAFYHT-HZPDHXFCSA-N 250.382 2.587 30 50 CFEA O=C1Oc2ccccc2N/C1=C/C(=O)c1cccs1 100477653 AILMREFCZHUPGP-CSKARUKUSA-N 271.297 2.846 30 50 CFEA C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCCOCC1 333528566 XPHSGTNDWDHAJT-HIFRSBDPSA-N 286.375 2.894 30 50 CFEA C[C@]12C[C@@H](O)[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CCC2=O 257358553 VDCOSJPGDDQNJH-GBALJZQLSA-N 288.387 2.668 30 50 CFEA C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1nc(C(F)(F)F)no1 952877203 MWURAOKVQJNMDQ-XHNCKOQMSA-N 288.273 2.821 30 50 CFEA N#CCc1cccc(N2CCC[C@H]2[C@@H]2CCCOC2)n1 1875266456 UGRAXPMCVDYOCR-HIFRSBDPSA-N 271.364 2.543 30 50 CFEA Cc1ccccc1N1CC[C@H](CNCc2c[nH]c(C#N)c2)C1 952872762 SUYNRTYJSLPPRM-OAHLLOKOSA-N 294.402 2.811 30 50 CFEA Cc1cc(C)c2c(c1)CN(c1nccnc1C#N)CC2 275019752 SNSLAOXLCPIDKI-UHFFFAOYSA-N 264.332 2.528 30 50 CFEA Cc1cc(C)c(C)c(OS(=O)(=O)CCCC#N)c1 111325003 DHHQXSUZWRLXOW-UHFFFAOYSA-N 267.350 2.624 30 50 CFEA O=S(=O)(/N=C(\S)c1ccccc1)c1ccc(F)cc1 617238 DXVFTLNRWLEHIB-UHFFFAOYSA-N 295.360 2.891 30 50 CFEA O=C1c2ccccc2CC[C@@]12O[C@@H]2c1ccncc1 13283792 HRRSYOHGEGUQGA-HZPDHXFCSA-N 251.285 2.721 30 50 CFEA CC1(C)N(O)C2=C(/C(=N/O)c3ccccc32)[N+](=O)C1(C)C 377848901 GWCGJNDPOSWHNG-LFIBNONCSA-O 288.327 2.588 30 50 CFEA COc1cc(B2OC(C)(C)C(C)(C)O2)c(OC)cc1Cl 1857787419 PEOLEWZHMKZRLX-UHFFFAOYSA-N 298.575 2.656 30 50 CFEA C=CC[C@]1(C=O)CCCN(C(=O)OC(C)(C)C)C1 317277295 QQUWRAQSJNGPCA-AWEZNQCLSA-N 253.342 2.779 30 50 CFEA CC(C)(C)OC(=O)NC12CCC(C=O)(CC1)CC2 220311286 NDFVBLMGZYGPJV-UHFFFAOYSA-N 253.342 2.803 30 50 CFEA O=C(N[C@@H]1CCCCC[C@H]1c1ccccc1)[C@H]1CO1 1875372723 LKPHICDOBUMDPK-RRFJBIMHSA-N 259.349 2.618 30 50 CFEA CCCOC(=O)N1CC[C@H](CB2OC(C)(C)C(C)(C)O2)C1 1875370657 XMQDPOSNVLBBGZ-GFCCVEGCSA-N 297.204 2.947 30 50 CFEA C#Cc1ccc(CN2CCc3nc(C4CC4)ncc3C2)cc1 585124014 AGSABPAFPLYWEP-UHFFFAOYSA-N 289.382 2.894 30 50 CFEA C=C(C)CN1CCN(Cc2ccccc2-n2cccn2)CC1 1506397497 VLSYFBHXGGFGNS-UHFFFAOYSA-N 296.418 2.566 30 50 CFEA N#Cc1ccccc1NC(=O)CSc1ccccc1N 4840967 BBXBTZVEAJRQKG-UHFFFAOYSA-N 283.356 2.871 30 50 CFEA N#C/C(=N\Nc1ccccc1F)C(=N)N1CCCCC1 62918 AHRNUYWGTKTFEV-QFVQXBGYSA-N 273.315 2.580 30 50 CFEA C=CCn1cc(CNCCSC(C)(C)C)c(C)n1 55118866 FPHJMXIOLOTBDZ-UHFFFAOYSA-N 267.442 2.999 30 50 CFEA C=CCc1ccc(C(=O)NCCc2c(C)n[nH]c2C)cc1 219093010 XJGJDTKCCUJVMR-UHFFFAOYSA-N 283.375 2.728 30 50 CFEA C=CC[C@]1(C(=O)O)CCCN(Cc2cccs2)C1 91411728 FHYFMLYVMYJJOJ-AWEZNQCLSA-N 265.378 2.991 30 50 CFEA C#CCCC1(CCC(=O)Nc2cccc3c2OCO3)N=N1 952882216 SPDNJFWHPAMGQS-UHFFFAOYSA-N 285.303 2.710 30 50 CFEA C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(OC2CCCC2)nc1 408519360 KDPUSIRJQNCKSX-BDJLRTHQSA-N 285.347 2.891 30 50 CFEA Cc1nc(N2CCOCC3(CCC3)C2)c(Cl)cc1C#N 360047231 JYDKVOVGPIMVFX-UHFFFAOYSA-N 291.782 2.922 30 50 CFEA C/C(Cc1ccccc1)=N\NS(=O)(=O)c1ccccc1 13964525 WZITUYVFESCCSG-DTQAZKPQSA-N 288.372 2.584 30 50 CFEA Cc1cc(-c2ccc([C@@H]3CNC(=O)C3)cc2)nc(C)c1C#N 1875248491 UGZCVVNPQFBBOA-HNNXBMFYSA-N 291.354 2.841 30 50 CFEA C[C@H]1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1 20288988 QSYBDNXNOJIKML-JTQLQIEISA-N 264.332 2.722 30 50 CFEA in-vitro Cc1ncoc1C1=NNC(=N[C@@H]2CCCC[C@H]2C)SC1 2325787703 QGQXDFFQLVZNIG-MWLCHTKSSA-N 292.408 2.958 30 50 CFEA CC1(c2cc(-c3ccncc3)c(C#N)c(N)n2)CC1 71775667 BCBYYSWWRUEFAZ-UHFFFAOYSA-N 250.305 2.649 30 50 CFEA CCOC(=O)/C(Cl)=N\Nc1ccccc1Cl 95696953 LTPRVINQSYJPIR-NTEUORMPSA-N 261.108 2.867 30 50 CFEA C=CCCC(=O)NC[C@H]1CCN(C2CCCCC2)C1 534589496 OIAVZYFFTRGKTL-CQSZACIVSA-N 264.413 2.723 30 50 CFEA Fc1ccccc1/C=N/N1CCN(c2ccccc2)CC1 229994 SSCAPOBACBGVSF-XMHGGMMESA-N 283.350 2.982 30 50 CFEA C=CC[C@]1(CO)CCCN(Cc2ccc(OC)cc2)C1 92021137 RQDHTFXSGGZUSO-KRWDZBQOSA-N 275.392 2.846 30 50 CFEA C=CCN(CC=C)C(=O)c1ccc2snnc2c1 94993 OEGYNHJFOZAYOI-UHFFFAOYSA-N 259.334 2.506 30 50 CFEA Cc1nc(Oc2cc(Cl)ccc2C#N)nc(N(C)C)n1 490072649 CESVIDZHCNBKMJ-UHFFFAOYSA-N 289.726 2.563 30 50 CFEA C#CCCN(C)CC(=O)N1CC(C)(C)[C@H]1c1ccccc1 952888030 YNIDAPJLIPOIQX-QGZVFWFLSA-N 284.403 2.551 30 50 CFEA CC#CC(=O)NCC(C)(C)c1c(F)cccc1Cl 408515935 UUERDRAAVHHBDJ-UHFFFAOYSA-N 267.731 2.896 30 50 CFEA N#C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)s1 598091319 BXRQIYYYOOEXSI-IUCAKERBSA-N 252.314 2.699 30 50 CFEA N#Cc1ccccc1NC(=O)Cc1ccc(F)cc1 860006 PSIRFDRJHSTZHW-UHFFFAOYSA-N 254.264 2.879 30 50 CFEA N#CC1(N2CCN(c3ccccc3)CC2)CCCC1 19935166 GHZFYXNECAKETM-UHFFFAOYSA-N 255.365 2.645 30 50 CFEA C=CCN(Cc1cccc(OC)c1)Cc1cc(C)nn1C 55402215 LVTXCAGCHZMYOP-UHFFFAOYSA-N 285.391 2.925 30 50 CFEA O=CC1CN(C(c2ccccc2)c2ccccc2)C1 100079959 HMXVLPIZABNUPW-UHFFFAOYSA-N 251.329 2.907 30 50 CFEA O=C1C[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 1430809 AQWQXSUKPCQZPN-LLVKDONJSA-N 275.735 2.951 30 50 CFEA CCn1c(NC(=O)c2ccn(C)c2)nc2cc(C#N)ccc21 345078244 ULUKXCXJXGBIRB-UHFFFAOYSA-N 293.330 2.519 30 50 CFEA C[C@H]1C[C@]1(C#N)C(=O)N1Cc2ccccc2OC(C)(C)C1 336304111 SBNRXFTYIATCTB-YVEFUNNKSA-N 284.359 2.736 30 50 CFEA C(#CCO[C@H]1CCCCO1)CCCO[C@@H]1CCCCO1 45027779 BUMZREDAGRIUOY-JKSUJKDBSA-N 282.380 2.856 30 50 CFEA CCOC(=O)N1CC[C@@](C#N)(Nc2ccccc2)[C@H](C)C1 196077444 XBAFUOWFJSCHEJ-CJNGLKHVSA-N 287.363 2.859 30 50 CFEA C=C[C@H]1CCN(Cc2ccc(C#CC(C)(C)O)s2)C1 820443838 NPZDPXGPPNRNJT-ZDUSSCGKSA-N 275.417 2.878 30 50 CFEA C[C@@H](CC#N)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 585105568 DUMAHOBKUGONLZ-HOTGVXAUSA-N 299.418 2.659 30 50 CFEA C=CCn1c2ccccc2c2nnc(SC)nc21 442125 JBLJHFICBUFFQL-UHFFFAOYSA-N 256.334 2.887 30 50 CFEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1cccc(O)c1 4488881 LZDPSTAWKNMRTB-LBPRGKRZSA-N 285.343 2.639 30 50 CFEA CCN(/C(O)=N/Cc1noc2ccccc12)C(C)C 330995347 UJVICGNHAIFLDE-UHFFFAOYSA-N 261.325 2.972 30 50 CFEA CN1CCCC[C@@H]1CC/C(O)=N/CC1(CO)CCCC1 329525091 SLSGSLQFAJBEJJ-CQSZACIVSA-N 282.428 2.760 30 50 CFEA C[C@@H](CN(C)c1ccc(C(F)(F)F)c(C#N)c1)C(=O)O 163849556 WUHWRVZLFNPEBA-QMMMGPOBSA-N 286.253 2.734 30 50 CFEA Cc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)cc1 4435793 JEHBJGIKFQURKT-ZBEGNZNMSA-N 294.358 2.855 30 50 CFEA N#Cc1cccnc1N[C@H]1CC(=O)N(CC2CCCCC2)C1 72123926 DSHVFDRYLNYVFR-HNNXBMFYSA-N 298.390 2.546 30 50 CFEA N#C[C@@H]1CCCN(C(=O)NCc2ccnc3ccccc23)C1 426509901 FNFILXZGKPLYAO-ZDUSSCGKSA-N 294.358 2.680 30 50 CFEA C[C@]12C[C@@H](O)[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O 257358554 VDCOSJPGDDQNJH-IIKVIHMASA-N 288.387 2.668 30 50 CFEA C=C(C)COc1ccccc1NC(=O)NCCF 299784108 IQICWGBAJTZKTN-UHFFFAOYSA-N 252.289 2.733 30 50 CFEA CC[C@@H]1CCN(C(=O)c2cccc(C#CC(C)(C)O)c2)C1 584888431 OXJOLMRYTFPYQC-CQSZACIVSA-N 285.387 2.681 30 50 CFEA N#C[C@@H]1CCCN1C(=O)CCc1cccc(Cl)c1 1875370254 HYHDFTZULGOMDB-ZDUSSCGKSA-N 262.740 2.787 30 50 CFEA N#CCNC1(c2cccc(Br)c2)CCC1 130741974 PTLUNOJNJMUGFN-UHFFFAOYSA-N 265.154 2.941 30 50 CFEA Cc1ccc(S(=O)(=O)N=C2SCCCS2)cc1 279510 TVCHQPJOVXSMIU-UHFFFAOYSA-N 287.431 2.910 30 50 CFEA Cc1c[n+]2ccsc2n1Cc1ccccc1C#N 281351 LYNIMYLVHCWTHW-UHFFFAOYSA-N 254.338 2.517 30 50 CFEA N/C(=N\OC(=O)CC1CCCCC1)c1ccccc1 4803374 WYMIHGCMPZLCMN-UHFFFAOYSA-N 260.337 2.821 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1CNCC(C)(C)CCC#N 328618046 DHTHXAFCQQNJBC-ZIAGYGMSSA-N 252.402 2.967 30 50 CFEA C[C@H](CC#N)NC(=O)Nc1ncc(C(F)(F)F)s1 282948202 AUSULKZMPSBYNL-RXMQYKEDSA-N 278.259 2.586 30 50 CFEA CC(C)=C[C@@H]1[C@@H](C(=O)[C@@H](C#N)C(=O)c2nccn2C)C1(C)C 123292175 WWTYEBSGNHZYCD-UPJWGTAASA-N 299.374 2.550 30 50 CFEA CC(C)n1nccc1[C@H]1OCC[C@@H]1Nc1ncccc1C#N 284514851 JMAUMYFTSUNONY-ZFWWWQNUSA-N 297.362 2.673 30 50 CFEA C=C[C@@H]1OC[C@@]2(COC(C)=O)[C@H](C)C=C(C)[C@H]1[C@H]2C 299872783 JBTQEJHRGJHHHA-WOOFSFRISA-N 264.365 2.969 30 50 CFEA Cc1cc(N2CCC[C@@H](c3cc[nH]n3)C2)nc(C)c1C#N 2356155560 IPLLSGURCRBQBZ-CYBMUJFWSA-N 281.363 2.677 30 50 CFEA CC(=O)C1=C(NC(=O)c2ccccc2)C[C@H]2[C@H]1C2(C)C 100740841 YQMYUMRTQGFQSG-SWLSCSKDSA-N 269.344 2.935 30 50 CFEA biogenic CC[C@@H]1CC[C@@H](/C(O)=N/C[C@H]2CCO[C@@H]2C(C)C)O1 328613380 RVGRISJGYFCBTI-YIYPIFLZSA-N 269.385 2.962 30 50 CFEA CCc1cnc(CN(C)c2snc(C)c2C#N)s1 288231027 FEHKNFQLGIMMPP-UHFFFAOYSA-N 278.406 2.979 30 50 CFEA CC(C)(O)CCc1ccccc1B1OC(C)(C)C(C)(C)O1 379423965 BPRQXMVQOCPQHD-UHFFFAOYSA-N 290.212 2.689 30 50 CFEA Cc1nc(-c2ccc(C(=O)NC3(C#N)CC3)s2)cs1 601180211 KAIPNYCXQTYVNO-UHFFFAOYSA-N 289.385 2.966 30 50 CFEA C[C@H]1OCCC[C@@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2 191942214 RWGLWTKCBIFMTL-RISCZKNCSA-N 299.374 2.586 30 50 CFEA CN(CCOc1ccccc1F)c1cc(C#N)ccn1 339970295 PEFQXUUUFAWGHV-UHFFFAOYSA-N 271.295 2.608 30 50 CFEA CN(CCC#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 3086249 RHFQSTASPKRWHE-UHFFFAOYSA-N 282.687 2.626 30 50 CFEA CCCCCC/C(=N\NS(C)(=O)=O)c1ccccc1 4989810 KGZIECJVXAHCOC-CCEZHUSRSA-N 282.409 2.910 30 50 CFEA Cn1cccc1[C@@](C#N)(CC#N)c1cccc(F)c1C#N 1401234 RNHMWIDAMOXVLH-MRXNPFEDSA-N 278.290 2.759 30 50 CFEA COc1ccc(C(=O)/C=C/[n+]2cccc(C)c2)cc1 4276983 DCRUUZFANWQHNW-PKNBQFBNSA-N 254.309 2.645 30 50 CFEA in-vitro CCC#CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 91756470 MUPUFUSTFHIPFN-SJLPKXTDSA-N 296.414 2.636 30 50 CFEA C=CC(=O)N(Cc1ccc2c(c1)CCO2)[C@H]1CCC[C@H]1C#N 1875388840 SDPHWGHANWEUHM-HOTGVXAUSA-N 296.370 2.828 30 50 CFEA CCCCCCCCCC(=O)N[C@H]1CCOC1=O 42764633 TZWZKDULKILUPV-LBPRGKRZSA-N 255.358 2.559 30 50 CFEA biogenic,in-vitro C#C[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 225683030 JRSLFQUECOORAP-NWDGAFQWSA-N 289.335 2.627 30 50 CFEA C#CCSc1nc(O)c2c(C)c(C(C)=O)sc2n1 8804327 NJOIUTFNCGPHLB-UHFFFAOYSA-N 278.358 2.633 30 50 CFEA CO/N=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4049808 JFCSVIRLGLRRKD-GXDHUFHOSA-N 263.297 2.565 30 50 CFEA COCC[C@@H]1CCCCN(C(=O)c2cc(C#N)oc2C)C1 375627696 KFNZELWVIIWEOR-ZDUSSCGKSA-N 290.363 2.739 30 50 CFEA C#CCOc1ccc(C(=O)c2ccc(O)cc2)cc1 45370751 TZKIHDJSIXVMIQ-UHFFFAOYSA-N 252.269 2.635 30 50 CFEA CC(=O)C1=C(O)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccccc1 136380808 YDDHSNFHTLNLJU-ULQDDVLXSA-N 288.343 2.531 30 50 CFEA CC1(C)CN(c2cccc(C#N)n2)[C@@H]1c1ccncc1 292773350 PGASWGUURPZCDI-OAHLLOKOSA-N 264.332 2.936 30 50 CFEA C=C(C)[C@@](C)(O)C#CCN1CCCC[C@H]1c1cccnc1 245225929 ABKDBHRAGTZDQX-ROUUACIJSA-N 284.403 2.939 30 50 CFEA biogenic CCN(CC)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169746424 VPXPXAUWTQPYDA-UHFFFAOYSA-N 289.228 2.828 30 50 CFEA in-vitro Cc1ccc(/C(N)=N/OC(=O)Oc2ccccc2)cc1 4293436 MZDCBTWGTKFIPM-UHFFFAOYSA-N 270.288 2.831 30 50 CFEA biogenic COc1ccc(C=O)cc1OCc1ccc(C#N)cc1 5293468 UWAJAOXRVPVQNJ-UHFFFAOYSA-N 267.284 2.958 30 50 CFEA Cc1ccc2oc(N/C(N)=N/C(=O)c3ccccc3)nc2c1 6199693 ICHROPHUCYWDAQ-UHFFFAOYSA-N 294.314 2.703 30 50 CFEA CCn1ccc2cccc(B3OC(C)(C)C(C)(C)O3)c21 1857785786 QFGGJRAAQHCIEQ-UHFFFAOYSA-N 271.169 2.960 30 50 CFEA Cc1cc(C#N)nc(N2CCCc3ccccc3C2)n1 231901163 CJFPPMRACRKSLT-UHFFFAOYSA-N 264.332 2.610 30 50 CFEA C=CCNc1oc(-c2ccc(OC)cc2)nc1C#N 4197236 JQMPRRWRJKMISY-UHFFFAOYSA-N 255.277 2.820 30 50 CFEA C/C(=N\Nc1nc(C)cc(C)n1)c1cccc([N+](=O)[O-])c1 4991325 QQIUSJQLURWZNI-GZTJUZNOSA-N 285.307 2.838 30 50 CFEA C[C@]12C3=CC(=O)C=C1C=C(O)C1=CC(=O)C=C(C=C3)[C@]12C 100818775 IKCBSIYEWLIYOE-ZWKOTPCHSA-N 278.307 2.895 30 50 CFEA N#Cc1c[nH]c(C(=O)N2CC[C@H]2c2ccccc2F)c1 374032895 OFIVGQJYZWRPQF-AWEZNQCLSA-N 269.279 2.613 30 50 CFEA C[C@H](C#N)CNC(=O)C(C)(C)COCc1ccccc1 240225362 DHLPQSKGVTYHLM-CYBMUJFWSA-N 274.364 2.505 30 50 CFEA N#CC[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 952883793 XLATZQYQIALLCE-LLVKDONJSA-N 282.303 2.883 30 50 CFEA CN(CCN(C)C1CCCC1)Cc1ccc(C#N)cc1 1529133954 IRHWDVZYGNNBEZ-UHFFFAOYSA-N 271.408 2.864 30 50 CFEA COc1ccc([C@H]2O[C@]23Cc2ccccc2C3=O)cc1 163795 LZNLWNYATXBVFQ-SJORKVTESA-N 266.296 2.944 30 50 CFEA CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCO 4115336 ZXZXYKGBOXNTSD-UHFFFAOYSA-N 294.358 2.634 30 50 CFEA C#CCOc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 6746515 QXMCTOLPXKRJOH-UHFFFAOYSA-N 276.295 2.823 30 50 CFEA CC(C)(C)OC(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 170007474 ZBUVYHVQMDQQLA-UHFFFAOYSA-N 297.204 2.946 30 50 CFEA CC1(C)OB(c2cccc(C3(C#N)CC3)c2)OC1(C)C 170027107 PZSNJALXNOCBSV-UHFFFAOYSA-N 269.153 2.541 30 50 CFEA N#Cc1ccc(N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1C(F)(F)F 252894241 ZBYCDYNTYHJYNS-JKOKRWQUSA-N 296.292 2.784 30 50 CFEA CCOC(=O)c1csc(-c2ccnc(N=C(C)O)c2)n1 328593631 QCBSXKCZYSFKDZ-UHFFFAOYSA-N 291.332 2.990 30 50 CFEA C=CCN(Cc1ccsc1)C(=O)c1cc(O)ccc1N 1506417191 LLGHPSWRXOAITA-UHFFFAOYSA-N 288.372 2.864 30 50 CFEA CCOc1cc(Br)c(C#N)cc1OC 5953386 DQVRTBPRKJRONY-UHFFFAOYSA-N 256.099 2.728 30 50 CFEA in-vitro C#CCCC1(CCC(=O)N2CCCC[C@@H](F)C2)N=N1 952881202 LMMODMVCEKOLMK-GFCCVEGCSA-N 265.332 2.693 30 50 CFEA CC1(C)OB(c2ccc(C#N)cc2C2CC2)OC1(C)C 203614389 VMAXTCGAPCXHRK-UHFFFAOYSA-N 269.153 2.735 30 50 CFEA C[C@H]1CCC[C@@]1(C#N)NC(=O)c1cc(F)c(F)c(O)c1F 195561578 GENYUEBLUPGBFR-WJWGPLDTSA-N 298.264 2.622 30 50 CFEA CC1(C)OB(c2cc(C#N)ccc2Cl)OC1(C)C 199722536 DGMDRBZAUFPUJU-UHFFFAOYSA-N 263.533 2.511 30 50 CFEA CC1(C)OB(c2cc3ccccc3cc2O)OC1(C)C 169951852 ABMLEYBIIGSGCL-UHFFFAOYSA-N 270.137 2.845 30 50 CFEA Cc1cc(=O)[nH]c(N/N=C/c2ccc(C(C)C)cc2)n1 6382143 QYILVWTWKZQMEA-CXUHLZMHSA-N 270.336 2.648 30 50 CFEA CC(C)(N/C(O)=N/[C@@H]1[C@H]2COC[C@H]21)c1cccc(Cl)c1 330034885 WWFSJVQPWPMXTN-ITGUQSILSA-N 294.782 2.724 30 50 CFEA C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)C[C@@H](C)O1 253371041 ZVCWZUKPBDDIJA-DDFAGTSDSA-N 275.308 2.834 30 50 CFEA N#Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 2816335 YTIPXVOVERFPRS-CXUHLZMHSA-N 267.244 2.923 30 50 CFEA COc1ccnc([B-](OC(C)C)(OC(C)C)OC(C)C)c1 170017029 HVOWLPLNBXYTKA-UHFFFAOYSA-N 296.196 2.511 30 50 CFEA C=CCN(Cc1cccs1)C(=O)CC1CCNCC1 236658424 GEWNTGGLZNNDJR-UHFFFAOYSA-N 278.421 2.652 30 50 CFEA COc1ccc2sc(CN=c3[nH][nH]c(C)c3C#N)cc2c1 1875316861 JUDHNPORTLMFMF-UHFFFAOYSA-N 298.371 2.847 30 50 CFEA CCOC(=O)[C@@H]1[C@@H](B2OC(C)(C)C(C)(C)O2)[C@H]1C1CC1 1875389913 NCVQUOXJXLWUEN-SRVKXCTJSA-N 280.173 2.668 30 50 CFEA Cc1ccc([C@@H](CCCC#N)N[C@@H]2CCC(=O)N(C)C2)cc1 225633559 QEXVTOQNNYZNNW-IAGOWNOFSA-N 299.418 2.940 30 50 CFEA C=C(C)[C@H]1OCC[C@H]1C(=O)OCC#Cc1ccccc1 225607791 VRRIWHASHAIZHK-HZPDHXFCSA-N 270.328 2.563 30 50 CFEA C[C@@H](c1cccc(C#N)c1)N1CCC(Cn2ccnn2)CC1 187716065 JEROZLATKHCQQE-AWEZNQCLSA-N 295.390 2.623 30 50 CFEA C=CCN(Cc1ccc(C)cc1)C(=O)[C@H](C)N(C)CC 1506398853 VESBFHCWOOZSGC-HNNXBMFYSA-N 274.408 2.850 30 50 CFEA CC1(C)CC(=O)C2=C(C1)NC(=O)N[C@H]2c1ccccc1 390466 LYALCTIYMWWLGG-AWEZNQCLSA-N 270.332 2.684 30 50 CFEA COc1ccc(/C=N/S(=O)(=O)c2ccc(C)cc2)cc1 100343262 NMFPHUIOZBSQGW-LFIBNONCSA-N 289.356 2.811 30 50 CFEA Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1 72266314 LZXMUJCJAWVHPZ-UHFFFAOYSA-N 265.291 2.853 30 50 CFEA investigational Nc1ccc([N+](=O)[O-])cc1N=Cc1ccccc1[N+](=O)[O-] 254303306 TWARVKUEINMADQ-UHFFFAOYSA-N 286.247 2.836 30 50 CFEA C#Cc1cnc2ccc(C[C@H](SC)C(=O)O)cc2c1 263619700 CJOZETYPTGIUIL-AWEZNQCLSA-N 271.341 2.575 30 50 CFEA CC(C)(C)[C@@H](C#N)OC(=O)Cc1cccc(OCC#N)c1 225391335 YSHDRTOOKRWWST-CQSZACIVSA-N 286.331 2.613 30 50 CFEA C#CC(O)(c1ccc(OC)cc1)c1ccc(OC)cc1 235658 RFNDMLXNYMQMGN-UHFFFAOYSA-N 268.312 2.573 30 50 CFEA in-vitro C[C@@H]1CC[C@H](NC(=O)c2c[nH]nc2-c2cccc(C#N)c2)C1 2325797377 LJMKDRDYWIJUEN-RISCZKNCSA-N 294.358 2.867 30 50 CFEA C=CCn1cc(Oc2ccccc2)c(=O)c(C(=O)O)c1 55413815 NDRJXACSKHLZEX-UHFFFAOYSA-N 271.272 2.525 30 50 CFEA C=CCn1cc(CNCc2cn3cc(C)ccc3n2)c(C)n1 55252263 OFJNDJRVDBJGOL-UHFFFAOYSA-N 295.390 2.623 30 50 CFEA CC[C@H](CC(F)(F)F)/N=C(/O)c1csnn1 330864407 NEZKFOBYRONNDG-RXMQYKEDSA-N 253.249 2.574 30 50 CFEA N#CCNC(=O)CCOc1ccccc1-c1ccccc1 126808562 BSRWJAJMKKFVKN-UHFFFAOYSA-N 280.327 2.762 30 50 CFEA N#Cc1ncccc1NC(=O)Cc1cccc(Cl)c1 1875328492 VFJISYPLZHXPOB-UHFFFAOYSA-N 271.707 2.788 30 50 CFEA CCc1nc(C)c(C(=O)N(C)c2ccc(F)cc2C#N)o1 1775994320 KQWWQDXNIPTEQV-UHFFFAOYSA-N 287.294 2.833 30 50 CFEA CC#CC(=O)N(CCC)[C@H]1CCc2ccccc2C1 277357598 FPIHFYFSEBOGBU-INIZCTEOSA-N 255.361 2.806 30 50 CFEA C=CCOc1cccc(CN[C@@H](CCSC)C(=O)O)c1 170612786 HDRIYAPQXNZGSQ-AWEZNQCLSA-N 295.404 2.547 30 50 CFEA CC[C@H](Oc1ccccc1F)C(=O)N[C@H]1CC[C@@H](C#N)C1 221873852 WXDJCKADIBQUIR-DYEKYZERSA-N 290.338 2.792 30 50 CFEA Cc1cc(C(F)(F)F)ccc1CNC(=O)CC#N 190487884 WXEJALVBKZAYHF-UHFFFAOYSA-N 256.227 2.544 30 50 CFEA CC(C)(C)OC(=O)NCCCB1OC(C)(C)C(C)(C)O1 169978555 MQRYONXVKZQEAC-UHFFFAOYSA-N 285.193 2.993 30 50 CFEA CCc1nc(SCc2ccc(F)cc2)[nH]c(=O)c1C#N 15989612 IIUPFRTWPLSMHK-UHFFFAOYSA-N 289.335 2.635 30 50 CFEA C=CCN(CC=C)C(=O)Nc1cccc([N+](=O)[O-])c1 2164776 IAKYMPIGEVIEPR-UHFFFAOYSA-N 261.281 2.801 30 50 CFEA CCNc1sc(C(=O)c2cccs2)c(N)c1C#N 4327545 TXBXBBFFDOLOPB-UHFFFAOYSA-N 277.374 2.926 30 50 CFEA C#CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1 8570391 FEBJUGCYDRVVCU-UHFFFAOYSA-N 281.311 2.960 30 50 CFEA CC(C)(C#N)CCN1CCO[C@@H](c2cccc(C#N)c2)C1 345972437 MUHIGAXZXJDYES-MRXNPFEDSA-N 283.375 2.871 30 50 CFEA C[C@H](NC(=O)CNc1ccc(C#N)cc1F)c1ccccc1 135637873 KLXJPXMOKHSEHA-LBPRGKRZSA-N 297.333 2.987 30 50 CFEA CC(C)(C)c1cnc(SC[C@H](O)CC#N)s1 253426548 XIYSWDRRKPPZQU-MRVPVSSYSA-N 256.396 2.807 30 50 CFEA Cc1nsc(N[C@@H]2C[C@H](C)n3ccnc32)c1C#N 333759917 ZMXDSGIJTHZHAZ-OIBJUYFYSA-N 259.338 2.638 30 50 CFEA N#Cc1ncccc1CC[C@H]1COc2ccccc2O1 244866701 WAZOOLOIRXSGLW-ZDUSSCGKSA-N 266.300 2.726 30 50 CFEA C#CCN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C 952849301 NPOJLKYRVKPFGX-OAHLLOKOSA-N 270.376 2.730 30 50 CFEA C#CCCC1(CCC(=O)N2CCOCC23CCCC3)N=N1 952881787 JIKRGRYBYBUIPF-UHFFFAOYSA-N 289.379 2.514 30 50 CFEA Cc1cc(N2CC(N3CCCC[C@@H]3C)C2)nc(C)c1C#N 2356143321 CPWLYJSEVSYDDL-ZDUSSCGKSA-N 284.407 2.633 30 50 CFEA C=CCn1cc(CN[C@H](CCC)c2nccn2C)c(C)n1 55196713 BQFRSQXNCRTOSD-OAHLLOKOSA-N 287.411 2.742 30 50 CFEA Cc1ccn2c(NCc3ccc(C#N)cc3)nnc2c1 125946488 NBVBAXBAGKSZHQ-UHFFFAOYSA-N 263.304 2.522 30 50 CFEA Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cnn(C)c1 67771306 VVPIQPOCKUMHGF-UHFFFAOYSA-N 289.342 2.911 30 50 CFEA COc1ccc(-c2nc3c(C#N)cnn3cc2C)cc1F 1384393 HFVFYVREGLQTDE-UHFFFAOYSA-N 282.278 2.724 30 50 CFEA Cc1c(C(O)=NNc2ccccc2)nnn1-c1ccccc1 328593079 VZOXKHSHTNNAQG-UHFFFAOYSA-N 293.330 2.907 30 50 CFEA C=CCC(F)(F)C(=O)Nc1nccn1CC(C)C 293115122 REWXSLZBJIMHSO-UHFFFAOYSA-N 257.284 2.689 30 50 CFEA Cc1cccnc1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618783080 BROAEKJODJZNKZ-OAHLLOKOSA-N 277.327 2.679 30 50 CFEA COCC1(NC(=O)Nc2ccc(C)c(C#N)c2)CCCC1 299785675 LLOQPRJHEDBHAK-UHFFFAOYSA-N 287.363 2.947 30 50 CFEA CC1(C)OB(c2ccc(C(=O)C3CC3)cc2)OC1(C)C 169839063 TXKSCAGVSMSVQZ-UHFFFAOYSA-N 272.153 2.579 30 50 CFEA in-vitro Cc1ccc(S(=O)(=O)/N=C/c2ccccc2)cc1 4293692 HVCKVBQOKOFBFH-RVDMUPIBSA-N 259.330 2.803 30 50 CFEA O/N=C1\CCCc2c1nc(-c1cccc(Cl)c1)n2O 13512981 TUXQFHQYTAFZJG-MHWRWJLKSA-N 277.711 2.955 30 50 CFEA Cc1nc(N=C(O)[C@H]2C[C@@]23CCOC3)cc(C2CC2)n1 329634100 WZUTVQLQVLOJOS-IAQYHMDHSA-N 273.336 2.677 30 50 CFEA CC(C)(C#N)c1ccc(-c2cc(C(N)=O)ccn2)cc1 97179357 YPWTXUNAVYAEBS-UHFFFAOYSA-N 265.316 2.649 30 50 CFEA C#CCCC1(CCC(=O)N2CCC[C@@]3(C2)CC3(F)F)N=N1 952879737 ANCNCYKTJMULRB-ZDUSSCGKSA-N 295.333 2.990 30 50 CFEA CC1(C)OB(c2cc(F)ccc2OCC2CC2)OC1(C)C 169822423 NHLRLZUBOLMQLU-UHFFFAOYSA-N 292.159 2.914 30 50 CFEA in-vitro Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccccc1 450168 GKVOEINEAXXUDB-GIJQJNRQSA-N 265.320 2.568 30 50 CFEA CC1(C)OB(c2ccccc2OC(F)(F)F)OC1(C)C 169794287 MJVAGGBGGPTBIJ-UHFFFAOYSA-N 288.074 2.884 30 50 CFEA Oc1ccc(/C=N/Nc2nc3ccccc3o2)cc1 5379969 YVILEAYERGJZRZ-OQLLNIDSSA-N 253.261 2.979 30 50 CFEA CCc1cccc2c(C#N)cn(CC(=O)NC(C)C)c12 613317 UMPUCMDWPBQXSP-UHFFFAOYSA-N 269.348 2.600 30 50 CFEA C=CCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 20102840 RQLZJWUQHZUZOO-UHFFFAOYSA-N 292.810 2.854 30 50 CFEA CC1(C)OB(c2ccc3ccoc3c2F)OC1(C)C 217438956 UPKBSCHRJRZFTB-UHFFFAOYSA-N 262.089 2.871 30 50 CFEA Cc1c([C@@H]2CC2(C)C)nc(N)c(C#N)c1-c1c[nH]cn1 71661950 PTAJFGZJRHCQHR-JTQLQIEISA-N 267.336 2.748 30 50 CFEA N#Cc1ccc(CC(=O)N2CCC(OCC3CC3)CC2)cc1 610365075 CDBHGUKGNGPQCC-UHFFFAOYSA-N 298.386 2.518 30 50 CFEA Cc1ccc([C@H](CCCC#N)N[C@@H]2CCC(=O)N(C)C2)cc1 225633526 QEXVTOQNNYZNNW-SJORKVTESA-N 299.418 2.940 30 50 CFEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2ccoc2)cn1 328641811 YAISQBZNEFZVOF-UONOGXRCSA-N 289.335 2.721 30 50 CFEA CC1(C)OB(c2cc(F)cc(N3CCCC3)c2)OC1(C)C 206427906 ZVMNXGFOCHXGCM-UHFFFAOYSA-N 291.175 2.725 30 50 CFEA in-vitro Cc1cc(C)nc(/N=C(/N)Nc2ccc(C)c(C)c2)n1 4003353 RQIFZSAFENSWLF-UHFFFAOYSA-N 269.352 2.769 30 50 CFEA C=CCC(=O)N1CCO[C@@H](CC2CCCCC2)C1 65396004 LRWAFQHHAHSFMV-AWEZNQCLSA-N 251.370 2.760 30 50 CFEA Cc1c(-c2cc(C(F)(F)F)nc(S)c2C#N)cnn1C 2558553 VSHSEVMTGLOVQR-UHFFFAOYSA-N 298.293 2.970 30 50 CFEA C=CCC1(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CCC1 170611115 JVPQROAZKXGOAP-LSDHHAIUSA-N 278.440 2.969 30 50 CFEA CC(C)c1nc([C@@H]2CCCN2C[C@@H](C#N)CCC#N)no1 229297943 HFPHQXGNGYJDEN-OLZOCXBDSA-N 287.367 2.773 30 50 CFEA N#CC1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95504806 HIBYRDSTQDAJDV-OAHLLOKOSA-N 270.376 2.863 30 50 CFEA CC1(C)OB(c2csc(C(F)F)c2)OC1(C)C 196766904 BZJPXDIFZMCQGW-UHFFFAOYSA-N 260.114 2.985 30 50 CFEA O=C1Nc2ccc(F)cc2/C1=C1\Nc2ccccc2\C1=N/O 100061227 RJIBTAMXAXHIAN-IOJOKMQUSA-N 295.273 2.793 30 50 CFEA in-vitro CC1(C)OB(c2ccc3ccc(N)cc3c2)OC1(C)C 669372351 MZUKMLZEOWRXKD-UHFFFAOYSA-N 269.153 2.721 30 50 CFEA CCOc1c(Br)cc(C#N)cc1OC 151909 AMMHOLOYPXBDNB-UHFFFAOYSA-N 256.099 2.728 30 50 CFEA in-vitro C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(C)c(C)s1 225588214 JRJRTINWWCUWJK-GHMZBOCLSA-N 266.366 2.680 30 50 CFEA COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(=O)[nH]2)cc1 13396394 UEJYFUADCJOTEZ-UHFFFAOYSA-N 294.232 2.941 30 50 CFEA C=CCN(Cn1nnc2ccccc21)C(=O)OC(C)(C)C 32603011 IRSWVGFBTFBKQD-UHFFFAOYSA-N 288.351 2.812 30 50 CFEA in-vitro CCN1C[C@@H](c2ccccc2)NC1=NCc1ccc[nH]1 1875280708 ZQQXVUPCFYFXRY-HNNXBMFYSA-N 268.364 2.537 30 50 CFEA N#Cc1ccc(-c2cccc3c(=O)cc[nH]c23)c(CO)c1 1875330835 DQLPXTZTUDVUJU-UHFFFAOYSA-N 276.295 2.559 30 50 CFEA C=CCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 201067 PPFJLFWNJCGXLK-UHFFFAOYSA-N 285.391 2.927 30 50 CFEA COc1ccccc1C(=O)Nc1ccc(C#N)cc1 556214 FPDQRTMBUOHIDB-UHFFFAOYSA-N 252.273 2.819 30 50 CFEA CCCCCCCCCCCCN[C@H]1CC(=O)NC1=O 59835367 VZKXXPZNDNHJAJ-AWEZNQCLSA-N 282.428 2.912 30 50 CFEA C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H](C#N)C(C)(C)C 252675868 VIDVOJKMZSIJMZ-JHJVBQTASA-N 266.385 2.636 30 50 CFEA O=C1C/C(=N\NC(=S)Nc2ccccc2)c2ccccc21 5390976 UIKMSHSHJYDBLF-NBVRZTHBSA-N 295.367 2.964 30 50 CFEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(C)C)cn1 291134513 VUXITUNHZWKYJT-HOCLYGCPSA-N 288.391 2.916 30 50 CFEA N#CCCCNC(=O)Nc1cc(C(F)(F)F)ccn1 278214050 VJZJPCQBEKQPJB-UHFFFAOYSA-N 272.230 2.526 30 50 CFEA C=CCOc1ccc(Oc2cc(C)nc(Cl)n2)nn1 2028017 AXUJWUGYHAOCMR-UHFFFAOYSA-N 278.699 2.586 30 50 CFEA C[C@H](Oc1ccccc1)C(=O)Nc1cccc(C#N)c1 453163 IDTLIDQOUUSDRK-LBPRGKRZSA-N 266.300 2.964 30 50 CFEA CC(=O)Oc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 1064833 NHUFVDYCXFWMHP-UHFFFAOYSA-N 280.283 2.736 30 50 CFEA Cc1cc(O)c(C(=O)/C=C/c2cccs2)c(=O)o1 3997684 ZGRSHXIJYSUSRK-SNAWJCMRSA-N 262.286 2.611 30 50 CFEA N/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccccc1 4992212 WZDUCENGLLWTMQ-UHFFFAOYSA-N 274.707 2.817 30 50 CFEA Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1 100182453 QIESSCZYAMITEQ-KSZDZHPYSA-N 294.354 2.526 30 50 CFEA C=CCNC(=O)c1sc2nc(C)c(C)c(C)c2c1N 4624666 MCYJXSDHVOIEKD-UHFFFAOYSA-N 275.377 2.720 30 50 CFEA Cc1cc(=NC[C@]2(C)OCCc3sccc32)c(C#N)c[nH]1 425266569 IDOAWRQJYLCJNV-INIZCTEOSA-N 299.399 2.645 30 50 CFEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)[C@@H]1C[C@H]1C1CC1 328619087 FJUCERKNLNJJFI-CRWXNKLISA-N 289.379 2.736 30 50 CFEA COCCNc1ccccc1NC(=O)c1ccc(C#N)cc1 191278878 NXMGWKPBXCJEPY-UHFFFAOYSA-N 295.342 2.869 30 50 CFEA CN(c1ccccc1)[C@H]1CCN(C(=O)CC(C)(C)C#N)C1 598379036 NVOHZFYBOZQGEV-HNNXBMFYSA-N 285.391 2.664 30 50 CFEA CN(C)C(=O)c1ccccc1OCc1ccc(C#N)cc1 349211209 GUSLWYMZVNZRKZ-UHFFFAOYSA-N 280.327 2.839 30 50 CFEA CC1(c2ccc(Cl)cc2)C(C#N)(C#N)C1(C#N)C#N 391470 KRYXZBXSHHXRQD-UHFFFAOYSA-N 266.691 2.678 30 50 CFEA C=CCn1c(SCCCCCC)nc(O)cc1=O 8625340 RAMPHVIMWZIGGJ-UHFFFAOYSA-N 268.382 2.807 30 50 CFEA CCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C=O 170008240 BFFNMVXJAOLMON-UHFFFAOYSA-N 290.168 2.587 30 50 CFEA CC(C)[C@@H]1CN(c2cccc(C#N)n2)CCCN1CC1CC1 71712219 MEDJKEORYVTWFV-KRWDZBQOSA-N 298.434 2.900 30 50 CFEA CCc1nc(C)c(CNC(=O)c2cccc(C#N)c2)s1 220354015 XZSCHMIJUGBKJE-UHFFFAOYSA-N 285.372 2.816 30 50 CFEA C=CCc1c(C)nc(N)nc1N1CCC[C@H](CSC)C1 95355764 JLORMKZPGRLIMQ-LBPRGKRZSA-N 292.452 2.675 30 50 CFEA C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)[C@H]2CCCC[C@H]12 273103192 UZCDJXBKFGBKRT-QKCSRTOESA-N 257.337 2.537 30 50 CFEA N#Cc1cc(Cl)ccc1CNc1ccc(C(N)=O)cc1 187708001 GDAOKIAAAIBTNO-UHFFFAOYSA-N 285.734 2.923 30 50 CFEA CCc1nnc([C@H]2CCCN(CC3(C#N)CC3)[C@H]2C)o1 952852606 GWJLKTGQBACSDI-RYUDHWBXSA-N 274.368 2.504 30 50 CFEA O=[N+]([O-])c1cccc(/C(=N\O)NCc2ccccc2)c1 2995882 HACYWSMHFWHIJM-UHFFFAOYSA-N 271.276 2.520 30 50 CFEA Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@@H](C#N)CCC#N 229516841 SXUWURIZFKFDCF-CABCVRRESA-N 285.395 2.617 30 50 CFEA N/C(CCO)=N/OCc1sc2ccccc2c1Cl 121376343 GLRWDZCORUDQOQ-UHFFFAOYSA-N 284.768 2.726 30 50 CFEA O=C1CC[C@H](/C(O)=N/C2(C(F)F)CC2)n2cccc21 328808118 MFRFCEFHBQRTNF-SECBINFHSA-N 268.263 2.760 30 50 CFEA CC1(C)CN(c2nccnc2C#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 253426067 FPJWLJJNPYNHAI-IGCXYCKISA-N 298.390 2.522 30 50 CFEA CCCNC(=O)c1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 442709957 BLRNGNLTLUBATP-XJKSGUPXSA-N 285.391 2.608 30 50 CFEA CC1(C)OB(C2=CCN(c3ccccn3)CC2)OC1(C)C 261361491 ZGLYHFJNZUVFDK-UHFFFAOYSA-N 286.184 2.850 30 50 CFEA C=CCC1(S(=O)(=O)N[C@@H]2CCc3cc(F)ccc32)CC1 1615605894 PBFPDIGCWWPDGR-CQSZACIVSA-N 295.379 2.841 30 50 CFEA Cc1nc2cc(-c3nccnc3C#N)ccc2s1 1243935170 RZHNWWQTYAIXHH-UHFFFAOYSA-N 252.302 2.933 30 50 CFEA CC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 13124899 WERKMSZMRLJDDF-CYBMUJFWSA-N 288.738 2.809 30 50 CFEA CCN(CC(F)F)c1snc(Cl)c1C#N 225580361 UYUROCTYRFOSTF-UHFFFAOYSA-N 251.689 2.760 30 50 CFEA COc1ccc(C(=O)/C=C(\O)C(=O)Nc2ccccc2)cc1 100798233 UBTHBUQWHDBSCI-WJDWOHSUSA-N 297.310 2.959 30 50 CFEA O=C1Nc2ccccc2N/C1=C\C(=O)c1ccc(F)cc1 100295502 UIXFWJVCVKBYOF-ZROIWOOFSA-N 282.274 2.957 30 50 CFEA CC1(C)OB(c2ccc3oc(C=O)cc3c2)OC1(C)C 170007060 JPKCSLGSKULHJL-UHFFFAOYSA-N 272.109 2.545 30 50 CFEA N#Cc1cc(I)c(Cl)nc1Cl 98181166 XYWZESOQBNMGLL-UHFFFAOYSA-N 298.898 2.865 30 50 CFEA N#Cc1nc(-c2ccccc2)cn(Cc2ccccc2)c1=N 252480145 BWSFZZGJQCVWIV-UHFFFAOYSA-N 286.338 2.950 30 50 CFEA CN1CCCC[C@H]1CCC(=O)Nc1ccc(CC#N)cc1 170614539 PAWGYRRUAAAZJT-INIZCTEOSA-N 285.391 2.956 30 50 CFEA Cn1ccnc1CCN1CCC(C#N)(c2ccccc2)CC1 1506402621 KCHNDSSRJUQMCL-UHFFFAOYSA-N 294.402 2.520 30 50 CFEA N#Cc1ccc(OC[C@H]2CC3CCN2CC3)c(F)c1 1857704787 GGTXZQUAAOZWMI-CYBMUJFWSA-N 260.312 2.560 30 50 CFEA NC(=O)c1ccccc1N/C=C/C(=O)c1ccccc1 13755387 NBGYVGBZGNFPJN-ZHACJKMWSA-N 266.300 2.594 30 50 CFEA C(=N/Nc1ccccc1)\c1ccc(N2CCOCC2)cc1 4982110 AOZBQCDCTRIVFT-NBVRZTHBSA-N 281.359 2.969 30 50 CFEA C=C/C(O)=N/CCC(=O)N1c2ccccc2CC[C@@H]1C 328599482 SGXZMCUNMZZCEA-LBPRGKRZSA-N 272.348 2.887 30 50 CFEA CC(O)=Nc1ccn([C@@H]2CCN(c3cccc(C)n3)C2)n1 328608678 AYCCXVNSVVOFQD-CYBMUJFWSA-N 285.351 2.646 30 50 CFEA CC[C@]1(C#N)CCCN(C(=O)c2cc(C)ncc2OC)C1 1857678415 FWLQRWQHEZFEBL-MRXNPFEDSA-N 287.363 2.555 30 50 CFEA Cc1cc(C)nc(SCC(=O)Nc2ccc(C#N)cc2)n1 12926334 ANTDIINUFGXAJQ-UHFFFAOYSA-N 298.371 2.696 30 50 CFEA C=CCn1c(SCC(=O)O)nnc1-c1cccc(C)c1 406027 WRESDJFYJKVBCD-UHFFFAOYSA-N 289.360 2.616 30 50 CFEA Cn1c(=C(C#N)C#N)c2cccc3c(Cl)ccc1c32 3190783 QNWFHBXFGXDNLG-UHFFFAOYSA-N 265.703 2.902 30 50 CFEA CN(C)C(=O)c1ccc(Nc2ccc(CC#N)cc2)nc1 2356158667 UOGNNDKDWMPIPF-UHFFFAOYSA-N 280.331 2.593 30 50 CFEA COc1cc2c(cc1-c1nc3cc(C#N)ccc3[nH]1)OCO2 55197745 SPAZEUIDECZZCX-UHFFFAOYSA-N 293.282 2.839 30 50 CFEA CCCC[C@H](N)c1nc2cccnc2n1CCC#N 526055984 CPIRJCNLRNFXPX-NSHDSACASA-N 257.341 2.535 30 50 CFEA N#Cc1cc(-c2ccnc(Cl)n2)c(F)cc1F 261507769 MCVOUZFEHVVQFC-UHFFFAOYSA-N 251.623 2.947 30 50 CFEA CN(Cc1cccc(-c2ccccc2)c1)C(=O)[C@H]1CO1 1875373398 ZWLCLMFBRIVDAQ-MRXNPFEDSA-N 267.328 2.711 30 50 CFEA C=CCOc1ccccc1OCCN1C[C@H](C)O[C@H](C)C1 16489149 DAEXNWCCHFXITC-GASCZTMLSA-N 291.391 2.739 30 50 CFEA COc1cc(C#N)ccc1CN1CCC[C@H]1C1CC1 378361146 DQCOGVFTYHYYAI-HNNXBMFYSA-N 256.349 2.941 30 50 CFEA Cc1ccc(NS(=O)(=O)c2ccccc2C#N)c(C)c1 74834 KRDQLHXIGLQQBM-UHFFFAOYSA-N 286.356 2.976 30 50 CFEA COc1cccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)c1 100291762 FPYOYUOJCREVBO-VOTSOKGWSA-N 286.283 2.559 30 50 CFEA biogenic Cc1noc(C)c1N=C(O)[C@@H]1CCC(=O)c2cccn21 329883731 RLALVVIGRLLFJD-NSHDSACASA-N 273.292 2.899 30 50 CFEA CC1(C)OB(c2ccc(C3CC3)s2)OC1(C)C 198093508 GGFYXFSRHYPEQE-UHFFFAOYSA-N 250.172 2.925 30 50 CFEA CC#CC(=O)NCc1cccnc1Oc1cccc(F)c1 764271371 YQMCHAGPPQMGDL-UHFFFAOYSA-N 284.290 2.653 30 50 CFEA CCSc1cccnc1C(=O)N(C)CC(C)(C)C#N 452144758 GYFMQIFOMQHGCZ-UHFFFAOYSA-N 277.393 2.815 30 50 CFEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)Cc1cccnc1 212290918 AUBVKEFKYAZLRX-ZFWWWQNUSA-N 256.349 2.746 30 50 CFEA C=C(CN1CCC(Cc2cccc(OC)c2)CC1)C(=O)O 2325851916 MSKCVWXLGADEHC-UHFFFAOYSA-N 289.375 2.591 30 50 CFEA C[C@H](C#N)CNC[C@@H]1CCCCN1C(=O)OC(C)(C)C 235155983 VWDJVKAVRGYWSR-OLZOCXBDSA-N 281.400 2.525 30 50 CFEA N#C[C@H]1CC[C@H](N2C[C@@H](C#N)[C@H](c3ccccc3)C2)C1 293540847 KFGAHHCVWCKSEZ-ORQFMDKSSA-N 265.360 2.918 30 50 CFEA COC(=O)c1ccc(CCNc2cc(C)c(C#N)cn2)cc1 1363723958 BEZZRDIQSNIAHA-UHFFFAOYSA-N 295.342 2.703 30 50 CFEA CCCN(CC#N)C(=O)c1scnc1C(C)(C)C 170608813 QIGWWJLKVFTIBJ-UHFFFAOYSA-N 265.382 2.816 30 50 CFEA C=C(Br)CN[C@H](COCC)C(C)C 225475528 JDLURHPLVXVAGD-SNVBAGLBSA-N 250.180 2.546 30 50 CFEA C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)CCCC#N 190926645 ROLKRFAYBFQLBB-VIFPVBQESA-N 273.304 2.744 30 50 CFEA CCc1n[nH]c(=S)n1/N=C(\C)c1ccc(F)cc1 5686820 GKVYYHFLQLEHDR-LZYBPNLTSA-N 264.329 2.914 30 50 CFEA C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1 13126955 MDQVQKUDFDEWNY-MEBBXXQBSA-N 280.331 2.546 30 50 CFEA O=C1C2=C/C(=C\NC3CCCCC3)C(=O)N2c2ccccc21 16134134 UFOUTXTZTYYKTB-VAWYXSNFSA-N 294.354 2.920 30 50 CFEA Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)no1 1054977 PPAAKEYCBKGPQM-UHFFFAOYSA-N 261.306 2.785 30 50 CFEA C=CCn1cc(CNCCCCc2ccccn2)c(C)n1 55054501 DEGGIUCAPQGNLZ-UHFFFAOYSA-N 284.407 2.885 30 50 CFEA COC(=O)C1=C[C@H]2C(=C(C)C)[C@H]1[C@]13O[C@]21[C@H]1CC[C@H]3C1 101051184 JCQIKYNJGLQKSV-FDCSBDDESA-N 272.344 2.620 30 50 CFEA COC[C@H](C)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 330931919 WELYXLBKWAQNHD-BPUTZDHNSA-N 286.375 2.567 30 50 CFEA CC(C)(CCCO)CN=c1cc(C#N)[nH]c2ccccc12 611307034 YPEDXFBMJNLNKB-UHFFFAOYSA-N 283.375 2.739 30 50 CFEA Cc1nc2ncc(-c3ccc(C(C)(C)C#N)cc3)cn2n1 426545051 KUEXPHFGWDWLBF-UHFFFAOYSA-N 277.331 2.901 30 50 CFEA O=C1Nc2ccccc2/C1=C1\Nc2ccccc2C1=NO 299888368 HBDSHCUSXQATPO-ALJQYSCYSA-N 277.283 2.654 30 50 CFEA C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@H]32)N=N1 952880441 BEUOCEPISKIDKN-CHWSQXEVSA-N 259.353 2.743 30 50 CFEA N#C[C@H]1CCC[C@@H](Nc2cnn(Cc3ccccn3)c2)C1 193110490 BHRRIPVPTMZONU-UONOGXRCSA-N 281.363 2.821 30 50 CFEA Cc1csc(C2=C(N)N([C@@H](C)c3ccccc3)CC2=O)n1 13719102 PMZKEDLBZYLMBY-NSHDSACASA-N 299.399 2.725 30 50 CFEA C=CCN1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 141085 LOCZFXNQRFKLPG-SFHVURJKSA-N 279.339 2.716 30 50 CFEA C=CC[C@H]1CC=C[C@@H](CC=C)N1C(=O)CCC(=O)O 296322 WBXPWEDSQDDQSJ-OLZOCXBDSA-N 263.337 2.529 30 50 CFEA N#Cc1nc(-c2ccc(F)cc2)oc1NC[C@@H]1CCCO1 468348 ZYYWHZNJZKEIOQ-LBPRGKRZSA-N 287.294 2.943 30 50 CFEA O=S(=O)(OCC(Cl)(Cl)Cl)c1ccccc1 2159996 WGPKGQYYRLIKDF-UHFFFAOYSA-N 289.567 2.762 30 50 CFEA C=C/C(O)=N/[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O 328599931 UMWDPPJNYNPAFM-FZMZJTMJSA-N 281.377 2.612 30 50 CFEA N#C[C@H]1C(=S)N=C(C(F)(F)F)C=C1C(F)(F)F 100555719 CAYGLJAVMDNQLH-GSVOUGTGSA-N 272.173 2.959 30 50 CFEA CCCCCCCCNC(=O)c1ccc2nnc(O)n2c1 670416495 JXIGLSHFGVWCEB-UHFFFAOYSA-N 290.367 2.525 30 50 CFEA N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[C@@H](O)CC1 1775985305 MWACSEYAUAPCRP-UXLLHSPISA-N 270.376 2.829 30 50 CFEA N#Cc1ccccc1CO[C@H]1CCCc2c[nH]nc21 188927964 QAFPYHNSVUXIPT-AWEZNQCLSA-N 253.305 2.876 30 50 CFEA Cn1/c(=N/N=C/c2ccc(O)cc2O)sc2ccccc21 451604 WVGYEZUBESCMDA-CEIRTLRLSA-N 299.355 2.586 30 50 CFEA COc1cc(/C=N/Nc2ccc(C(=O)O)cc2)ccc1O 4038328 VZOQOZQXLIKTDA-CXUHLZMHSA-N 286.287 2.545 30 50 CFEA biogenic CC#CC(=O)N1CCOc2c1cccc2C(C)(C)C 801215608 JFOOQIDSPVVHIH-UHFFFAOYSA-N 257.333 2.733 30 50 CFEA C=CCOC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1 2898786 MKPOGFKSYUTWKG-UHFFFAOYSA-N 288.299 2.518 30 50 CFEA CCN(CC)/C(=N\O)c1ccc(Br)cc1 22342501 TVSXZTSQUQZZBW-QBFSEMIESA-N 271.158 2.927 30 50 CFEA Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3nc(C)no3)C2)n1 264800892 CKGIFQSJIUNTOF-CYBMUJFWSA-N 297.362 2.646 30 50 CFEA CC1(C)OB(c2ccc(N)c3ccccc23)OC1(C)C 169746360 YAQGFMZVTUQUSY-UHFFFAOYSA-N 269.153 2.721 30 50 CFEA in-vitro Cc1cc(-c2cnc3c(c2)CCN3C)nc(C)c1C#N 1875245425 ZJYBXUBCYWDTGM-UHFFFAOYSA-N 264.332 2.624 30 50 CFEA C=CCNCC[C@@H]1CCC(=O)N1Cc1cccc(F)c1F 12283386 PXWVJWNNXRNRBP-ZDUSSCGKSA-N 294.345 2.622 30 50 CFEA CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2)CC1 168454 WIBWVYVIBJOVIW-UHFFFAOYSA-N 287.363 2.615 30 50 CFEA in-vitro N#Cc1ccc(CNC(=O)CCCc2nccs2)cc1 239591375 BBDMHQNBZVODAC-UHFFFAOYSA-N 285.372 2.654 30 50 CFEA C=CCC[C@](C)(C#CCN(CC)CC)OC(C)=O 2837530 PXKKYYXOWAXOET-OAHLLOKOSA-N 251.370 2.620 30 50 CFEA COCCNc1oc(/C=C/c2cccs2)nc1C#N 4840721 LISSVMVPXCKFKZ-SNAWJCMRSA-N 275.333 2.836 30 50 CFEA C[C@@H]1CCCCN1CCN(C)Cc1ccccc1C#N 67697443 SXGMUOXAGUJXGF-OAHLLOKOSA-N 271.408 2.864 30 50 CFEA COc1ccc(C(=O)/C=C/C(=O)O)c2ccccc12 36182804 VJECOGLOADRZQC-VQHVLOKHSA-N 256.257 2.672 30 50 CFEA Cc1cc(N=C2C=C(N3CCOCC3)CC(C)(C)C2)n[nH]1 334159337 MSIBRJKIIJJJIC-UHFFFAOYSA-N 288.395 2.827 30 50 CFEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3[C@H]2[C@@H]2C=C[C@H]23)cc1 248011301 IXJFKIGVJVLUOZ-KJWHEZOQSA-N 276.357 2.521 30 50 CFEA CC(=O)N=C1C=CC(=C/C=C2\C=CC=CN2C)C=C1 367628669 SEVVCHVCBMJWBP-VZIJXIJYSA-N 252.317 2.926 30 50 CFEA CC1(C)OB(c2cccc(CN3CCCC3)c2)OC1(C)C 169743721 AKQLICZDOCQKRA-UHFFFAOYSA-N 287.212 2.582 30 50 CFEA in-vitro C#CCCCC(=O)NCCc1cc2ccccc2o1 192131586 RGUFGUCUMRRQRC-UHFFFAOYSA-N 255.317 2.895 30 50 CFEA Cc1cnn(C2CCCC2)c1NC(=O)c1cc(C#N)c[nH]1 1529144036 DRJNISBHAHLLQX-UHFFFAOYSA-N 283.335 2.759 30 50 CFEA S=C(N/N=C/c1ccccc1)NC1CCCCC1 7013654 XYAIUNZYIZMNNI-RVDMUPIBSA-N 261.394 2.817 30 50 CFEA COc1ccccc1-c1nc(C#N)c(NC2CC2)o1 1775965240 XVKRVBNWXKXGEF-UHFFFAOYSA-N 255.277 2.796 30 50 CFEA Fc1ccccc1/C=N/N1CCN(Cc2ccccc2)CC1 19771319 QMBNPQTYBJXJAK-XSFVSMFZSA-N 297.377 2.977 30 50 CFEA CC(C)(O)C#C[C@](O)(c1ccccc1)c1cccs1 200818 HVKSMKKAFOYNMX-INIZCTEOSA-N 272.369 2.758 30 50 CFEA O=C(C[n+]1cccc(Br)c1)c1ccc(F)cc1 1595138 NYPQFHZZJOXBQF-UHFFFAOYSA-N 295.131 2.759 30 50 CFEA O=C(C[n+]1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 1735765 IELFHOWZRIXCHN-UHFFFAOYSA-N 293.302 2.918 30 50 CFEA COC(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1F 4869972 OZHMMWLQXXZAOV-UHFFFAOYSA-N 298.273 2.736 30 50 CFEA CCCCNC=C1C(=O)CC(c2ccccc2)CC1=O 100631117 BPGODBBZKGTBDY-UHFFFAOYSA-N 271.360 2.976 30 50 CFEA C=CC[C@@H]1N(CC(=O)NC2(C#N)CCC2)CCCC1(C)C 332459760 ISHHXXIOMSIBCO-AWEZNQCLSA-N 289.423 2.616 30 50 CFEA CC(=O)Nc1cc(C)c(B2OC(C)(C)C(C)(C)O2)c(C)c1 170003351 GHYGIPPSDZMFMS-UHFFFAOYSA-N 289.184 2.561 30 50 CFEA N#C[C@@H]1CCCN1C(=O)c1cc(Cl)nc(Cl)c1 236073099 HNQTYWSYQBMMSP-QMMMGPOBSA-N 270.119 2.517 30 50 CFEA CCCCCCCCCC(=O)N[C@@H]1CCOC1=O 64859363 TZWZKDULKILUPV-GFCCVEGCSA-N 255.358 2.559 30 50 CFEA biogenic,in-vitro C=CCn1nc(-c2cccc(F)c2)nc1[C@H](O)C1CC1 1875340618 KRSKGRXYFSZRSH-CYBMUJFWSA-N 273.311 2.714 30 50 CFEA Cc1ccc(N2CCN(/N=C/c3cccnc3)CC2)cc1 72677 ZRUKDUWJEAIJOP-XMHGGMMESA-N 280.375 2.546 30 50 CFEA C=CCn1c(=N)n(C[C@H](O)C(C)(C)C)c2ccccc21 19771379 UPCOAWBOZPGUJV-AWEZNQCLSA-N 273.380 2.515 30 50 CFEA Cc1ccsc1CNC(=O)N1CCC[C@@H](C#N)C1 426677745 AUYCMFRXQRPGDB-NSHDSACASA-N 263.366 2.502 30 50 CFEA Cc1ccccc1N/N=C1\C(=O)N(C)c2ccccc21 100494477 VVUFDXOHGMQGGL-SDXDJHTJSA-N 265.316 2.788 30 50 CFEA CO/N=C/c1ccc(-c2ccsc2C(=O)OC)o1 4001877 SLQFQMZNOMTPQB-NTUHNPAUSA-N 265.290 2.775 30 50 CFEA C=C(C)CNC(=O)Nc1ccc(C(=O)NCC(C)C)cc1 156614509 CGDLPAYKOQFTJA-UHFFFAOYSA-N 289.379 2.770 30 50 CFEA CC1(C)OB(c2ccc(OC(F)F)c(F)c2)OC1(C)C 169807959 NYRSHQCHDLSCNW-UHFFFAOYSA-N 288.074 2.726 30 50 CFEA in-vitro Cc1ccnc2[nH]c([C@@H](C#N)C(=O)[C@H](C)C(C)C)nc12 750723380 IQFBGCCZNXNMIX-MNOVXSKESA-N 270.336 2.735 30 50 CFEA N#C[C@@H]1CCC[C@@H](Nc2cnn(Cc3ccccn3)c2)C1 193110526 BHRRIPVPTMZONU-ZIAGYGMSSA-N 281.363 2.821 30 50 CFEA C#CCN1Cc2cc(OC)c(OC)cc2C2(CCCC2)C1 19702857 MTACYFVKBBSVOS-UHFFFAOYSA-N 285.387 2.964 30 50 CFEA C[C@@H](N[C@H](C)c1nccn1C)c1cccc(C#N)c1 611393332 CJIBBABWDSAKIO-VXGBXAGGSA-N 254.337 2.704 30 50 CFEA C[C@H](Oc1ccc(Cl)cc1)C(=O)/C=C/N(C)C 1399901 HYBSAHPNXCCSOM-DDXVTDLHSA-N 253.729 2.752 30 50 CFEA OCC/N=C(/S)Nc1ccc(Cl)c(Cl)c1 8683722 UFTYCEAGKXXBJN-UHFFFAOYSA-N 265.165 2.683 30 50 CFEA O=C1C=C(Nc2ncn[nH]2)C[C@@H](c2ccc(Cl)cc2)C1 8971260 BPRDVFOCQQWQNQ-SNVBAGLBSA-N 288.738 2.901 30 50 CFEA Cc1noc(C)c1CO[C@@H]1CCN(/C(O)=N/C(C)(C)C)C1 328587357 GWODZDYBDINWCR-GFCCVEGCSA-N 295.383 2.595 30 50 CFEA CC(O)=Nc1ccn([C@@H]2CCN(Cc3ccco3)C2)n1 328619888 GIEYRLRHEBDRSM-GFCCVEGCSA-N 274.324 2.531 30 50 CFEA O=S1(=O)CCC[C@H](C/N=C(/O)C[C@@H]2C=CCCC2)C1 329240856 RHNHHMNTDZQUQC-CHWSQXEVSA-N 285.409 2.514 30 50 CFEA CC#CCCNC(=O)c1ccc(Br)cc1F 163330761 VIGQGAFUOXUYNW-UHFFFAOYSA-N 284.128 2.731 30 50 CFEA CCC[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CCO1 270221088 GTRUPPDEVFYZBD-NSHDSACASA-N 299.296 2.977 30 50 CFEA CCOc1cc(C(N)=O)ccc1OCc1ccc(C#N)cc1 675010303 OFWBCNJBMOWUGI-UHFFFAOYSA-N 296.326 2.635 30 50 CFEA N#Cc1cccc(C2(NC(=O)CCCC(=O)C3CC3)CC2)c1 408519486 GHISWIQSMBIUSU-UHFFFAOYSA-N 296.370 2.813 30 50 CFEA N#Cc1cc(Cl)ccc1Cn1cc(F)ccc1=O 190738601 LDSLKQFXZLQAGC-UHFFFAOYSA-N 262.671 2.561 30 50 CFEA C=CCN(CC=C)C(=O)c1cc(C)ccc1N1CCCC1=O 193120867 RXIAIXSVKMTCTQ-UHFFFAOYSA-N 298.386 2.936 30 50 CFEA C=CC[C@]1(CO)CCCN(Cc2ccccc2C#N)C1 91695412 JUKVIOWAHYQEMR-KRWDZBQOSA-N 270.376 2.709 30 50 CFEA C[C@@H]1C[C@@H]1NC1CCC(C#N)(c2ccccn2)CC1 2325853318 LITWYBAIEWXVRT-RXFTYZNJSA-N 255.365 2.784 30 50 CFEA CN1CCN(c2cccc(Nc3ncccc3C#N)c2)C1=O 2356146431 FXARVGYWGMEISS-UHFFFAOYSA-N 293.330 2.569 30 50 CFEA CN(C)CCC/N=C(\S)NCc1ccc(Cl)cc1 8682680 UYTSDSRWPQTCFU-UHFFFAOYSA-N 285.844 2.667 30 50 CFEA C=CCC(C)(C)c1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1 55307479 HVTGVKRKQQUCIX-UHFFFAOYSA-N 256.309 2.586 30 50 CFEA CC(C)(C)[C@H]1OCC[C@@H]1C/N=C(/O)NC1CC=CC1 328616657 BYOPHFJNSPXWMB-YPMHNXCESA-N 266.385 2.660 30 50 CFEA C[C@@H](NC(=O)[C@@H]1CO1)c1ccc(-c2ccccc2)cc1 1875372711 LDKYNKPKNXGPCD-WBMJQRKESA-N 267.328 2.930 30 50 CFEA CC1(C)OB(c2ccc(Cl)nc2Cl)OC1(C)C 169745918 AOLXLWZJOQBPQX-UHFFFAOYSA-N 273.956 2.688 30 50 CFEA in-vitro C=CCN(CC=C)C(=O)C1(c2ccc(C#N)cc2)CC1 193123272 TVSYDKDALHWXDW-UHFFFAOYSA-N 266.344 2.790 30 50 CFEA CN(C)/C=C/C(=O)c1sccc1Br 168841 IPLCHDWYQNOSFW-HWKANZROSA-N 260.156 2.769 30 50 CFEA CCc1ccc(/C=N/n2c(CC)n[nH]c2=S)cc1 5686775 RQMYLTJCTCZUNU-NTEUORMPSA-N 260.366 2.948 30 50 CFEA COc1cccc(-c2cccc(C(=O)N3CC(C#N)C3)c2)c1 1857687153 OYZMHYRSERMMBA-UHFFFAOYSA-N 292.338 2.958 30 50 CFEA COc1ccc(OCc2nc(/C=N/O)cs2)cc1 2325721749 IORXBDIISQEOSR-AWNIVKPZSA-N 264.306 2.539 30 50 CFEA Cc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1C 74839 VZISBXMGFUTCKO-UHFFFAOYSA-N 286.356 2.976 30 50 CFEA Cc1nnc(NCCC[C@H]2CCCC[C@@H]2O)c(C#N)c1C 154505752 ZKQVWEJLJVTDIE-HIFRSBDPSA-N 288.395 2.708 30 50 CFEA CC1(C)[C@@H](OCc2ccccc2)[C@@H]2[C@@H](C#N)CC(=O)O[C@@H]21 71786842 NIJSLKOGSUIJRA-OEAJRASXSA-N 285.343 2.683 30 50 CFEA COC(=O)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 37205 FRWFINMJGFOEOB-UHFFFAOYSA-N 294.310 2.792 30 50 CFEA O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2)cc1 51436 WPFNLWKQMSNEHE-UHFFFAOYSA-N 295.294 2.574 30 50 CFEA Cc1ccnc(SCC(=O)c2ccc(C#N)cc2)n1 8882981 RKSLHTKYTHORDP-UHFFFAOYSA-N 269.329 2.632 30 50 CFEA N#CCc1cc(C(F)(F)F)cnc1Br 238577936 RVVAKNZPBITLNU-UHFFFAOYSA-N 265.032 2.929 30 50 CFEA CN(C)C(=O)c1ccc(-c2cccc(C#N)c2)cc1 85477015 OUTXBBZIDLYPCY-UHFFFAOYSA-N 250.301 2.927 30 50 CFEA in-vitro C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccs1 19959609 JQRQTYFSDVVJIA-ISVAXAHUSA-N 286.360 2.608 30 50 CFEA CCC#CCN1CCC[C@@H](CNC(=O)c2cccs2)C1 952986995 DIPZXCWVKSVTBT-AWEZNQCLSA-N 290.432 2.603 30 50 CFEA C[C@]1(c2ccccc2)CN(C(=O)[C@H](C#N)CC2CC2)CCO1 585079538 LLYLXGXYIAYFPP-MAUKXSAKSA-N 298.386 2.700 30 50 CFEA C[C@@H]1c2ccc(Cl)n2CCN1Cc1ccnc(C#N)c1 1616023864 VURSNLKTISPFBH-LLVKDONJSA-N 286.766 2.985 30 50 CFEA N#Cc1cc(F)cc(CNc2ccc(C#N)nc2)c1 1875316703 BRSUWCXGSWRWPI-UHFFFAOYSA-N 252.252 2.576 30 50 CFEA Sc1nnc(-c2ccccn2)n1/N=C/C=C/c1ccco1 17016796 FYSGWXVRFZDGLY-KLKIZMIFSA-N 297.343 2.769 30 50 CFEA COc1cccc([C@H]2CCN2C(=O)c2ccc(C#N)nc2)c1 1857682166 QWSGREJHLLYRKV-MRXNPFEDSA-N 293.326 2.549 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1Cc2ccccc2NC(=O)[C@H]1C 585122464 KZRQCIBSIDIUCT-QWHCGFSZSA-N 286.375 2.958 30 50 CFEA COc1ccccc1C[N+]1C(=O)C(=NO)c2cc(C)ccc21 343516992 YOXKJPYLOOOAER-UHFFFAOYSA-N 296.326 2.694 30 50 CFEA Cc1nc([C@@H]2CCCN(c3ccncc3C#N)C2)[nH]c1C 1775989264 IXCHCZATCJNHOS-CYBMUJFWSA-N 281.363 2.677 30 50 CFEA CC[C@H]1OCCC[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 277210898 KIUBWJGFLVRDEY-HZPDHXFCSA-N 286.375 2.722 30 50 CFEA COc1ccccc1/C=N\N1CCN(c2ccccc2)CC1 5009145 PIFQGYCFQYGBIK-CYVLTUHYSA-N 295.386 2.851 30 50 CFEA N#Cc1nc(-c2cccs2)oc1NC[C@@H]1CCCO1 468419 AIPQAXWNBFJZCQ-VIFPVBQESA-N 275.333 2.866 30 50 CFEA C=CCN=c1[nH]c(C2(c3ccccc3)CCNCC2)cs1 2356164021 BBOWBZJWIJXIDK-UHFFFAOYSA-N 299.443 2.832 30 50 CFEA C=CCNC(=O)c1cc(Br)ccc1OCC 8723087 ODLSHCVLYJEWPF-UHFFFAOYSA-N 284.153 2.764 30 50 CFEA N#C[C@@H]1C[C@H](F)CN1C(=O)c1cc(Cl)ccc1F 1148424652 FSGDUGWVRSAZOI-IUCAKERBSA-N 270.666 2.555 30 50 CFEA CC#CC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 282799840 MSJRZKXUEHTPTN-SECBINFHSA-N 277.274 2.632 30 50 CFEA OC(=Nc1nc2cccnc2[nH]1)[C@@H]1[C@H]2CCCC[C@H]21 330219302 KAYJEPXZJCACBR-JZYVYDRUSA-N 256.309 2.982 30 50 CFEA CC[C@@H]1CN(Cc2cc(C#N)n(CC)c2)CCN1C(C)C 72162413 OXDMTMHEMLKHEL-MRXNPFEDSA-N 288.439 2.684 30 50 CFEA N#Cc1ccncc1NC[C@H]1OCCc2ccccc21 378362910 ZJYLYLNETJATCM-MRXNPFEDSA-N 265.316 2.679 30 50 CFEA C=CCNC(=O)NCCCSCc1ccccc1 584900523 RFMWVCJSJGMLOH-UHFFFAOYSA-N 264.394 2.795 30 50 CFEA CO[C@@]1(C)C[C@H](N(C)c2cccc(C#N)n2)C1(C)C 270031926 HDQCBXFZVQBJLB-WFASDCNBSA-N 259.353 2.593 30 50 CFEA Cc1c(CN(C)C[C@H]2Cc3ccccc3O2)cc(C#N)n1C 670440537 VXZMZOYHWHZVFJ-QGZVFWFLSA-N 295.386 2.641 30 50 CFEA CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 220511301 NFRWXBKYUXRKQL-UHFFFAOYSA-N 250.122 2.687 30 50 CFEA CN(C)c1ccc(/C=N/c2ccc(C(=O)O)c(O)c2)cc1 71703 ODFBNHLCJVNOEF-LICLKQGHSA-N 284.315 2.907 30 50 CFEA O=C(C[n+]1ccc2ccccc2c1)c1ccccc1[N+](=O)[O-] 5740157 UMRUXWSMUHXCQY-UHFFFAOYSA-N 293.302 2.918 30 50 CFEA Cc1ccccc1/C(N)=N/OC(=O)c1ccc(F)cc1 18251052 BNZZUTRLIVZWMZ-UHFFFAOYSA-N 272.279 2.611 30 50 CFEA CC1(C)OB(c2cc(-c3ccccc3)no2)OC1(C)C 169794627 ZFUDBXAMQSUYAQ-UHFFFAOYSA-N 271.125 2.641 30 50 CFEA COc1ccc(C#N)cc1-c1ccc2c(c1)CN(C)C2=O 1236542330 ASGNNEVYBQDVDG-UHFFFAOYSA-N 278.311 2.819 30 50 CFEA C#CCOC(=O)c1cccc(Oc2ccccn2)c1 2325868799 LENORXDFCXLUQT-UHFFFAOYSA-N 253.257 2.664 30 50 CFEA C#CCCCCCCn1ccc2cnccc2c1=O 902776467 MEHATTZLHHZZIL-UHFFFAOYSA-N 254.333 2.980 30 50 CFEA N#Cc1cccnc1SCC(=O)Nc1ccc(F)cc1 7051371 VEYDJJSXMYQQED-UHFFFAOYSA-N 287.319 2.823 30 50 CFEA OC[C@H](C1CC1)[C@H](/N=C(/O)c1ccnc(Cl)c1)C1CC1 328598517 MKLXGCYNEGWZNQ-TZMCWYRMSA-N 294.782 2.837 30 50 CFEA COc1cc(/C(O)=N/CCC[Si](C)(C)C)on1 328592180 IZYBOZVORGAOTM-UHFFFAOYSA-N 256.378 2.716 30 50 CFEA CC(C)c1[nH]ccc1/C(O)=N/C[C@]1(C)CCOC1 330593588 APIFMCSCHHMJON-AWEZNQCLSA-N 250.342 2.869 30 50 CFEA C[C@@H](NC(=O)C(F)(F)Cl)c1ccc(C#N)cc1 152952577 CVCHBDYDECLIPW-SSDOTTSWSA-N 258.655 2.567 30 50 CFEA Cc1ccc(NC[C@H]2CCN(C[C@@H](C#N)CCC#N)C2)nc1 222204579 IFLUXMVICZVMDC-HZPDHXFCSA-N 297.406 2.567 30 50 CFEA CC(C)OCC1CCN(Cc2c[nH]c(C#N)c2)CC1 826756084 LPIXIAMMOOFIRO-UHFFFAOYSA-N 261.369 2.523 30 50 CFEA CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CC[C@H](C#N)C1 170598034 WXDJCKADIBQUIR-SCRDCRAPSA-N 290.338 2.792 30 50 CFEA COc1cc(OC)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 642814381 GTIANJKBNTZMKA-UHFFFAOYSA-N 298.575 2.656 30 50 CFEA CCOC(=O)/C(=N\O)C1=NC(C)(C)[C@@H](C)c2ccccc21 5042485 YJSXMFQDZMQNLO-JPCVJQKGSA-N 288.347 2.765 30 50 CFEA C=CCn1c(SC)nc2sc(C)cc2c1=O 5017311 GCMXYXJRMYGOHR-UHFFFAOYSA-N 252.364 2.674 30 50 CFEA CN(CCC#N)CC(=O)Nc1ccc(Cl)c(Cl)c1 2995617 LDDXLLQDQDCDFY-UHFFFAOYSA-N 286.162 2.777 30 50 CFEA C[C@@H](CC(C)(C)O)/N=C(/O)c1c(F)cc(C#N)cc1F 331356158 ROMHYZWJOMPQFC-QMMMGPOBSA-N 282.290 2.691 30 50 CFEA Cc1ccc[n+](CC(=O)c2ccc(Br)cc2)c1 1664825 VPHHTTCMHAFHMA-UHFFFAOYSA-N 291.168 2.928 30 50 CFEA C[C@@H]1CCCN(C/C(O)=N/c2nnc(C3CC3)s2)C1 20028127 DRQDWRADAIVDHB-SECBINFHSA-N 280.397 2.735 30 50 CFEA CCn1cc(CN2CC[C@H](n3nc(C)cc3C)C2)cc1C#N 72144351 VESHIEAUYWLIDG-INIZCTEOSA-N 297.406 2.640 30 50 CFEA Cc1cc(N2CCC[C@H]2[C@@H]2CCCOC2)ncc1C#N 1363730960 PTLHVJVEYGSWLY-HIFRSBDPSA-N 271.364 2.657 30 50 CFEA N#Cc1ccc[n+](CC(=O)c2cccc3ccccc23)c1 5777309 ZLACLMYWLNMYFP-UHFFFAOYSA-N 273.315 2.882 30 50 CFEA CCN1C(=O)CS/C1=N\C12CC3CC(CC(C3)C1)C2 17751856 GMGZVTAXWYBZQJ-PEZBUJJGSA-N 278.421 2.907 30 50 CFEA COc1ccccc1OCC(=O)Nc1ccc(C#N)cc1 306360 RFFZTTWAZXREQM-UHFFFAOYSA-N 282.299 2.584 30 50 CFEA COC(=O)c1cc(C)nc(N[C@H](CC#N)c2ccccc2)n1 2325724059 NTEKIUVIDQBING-CYBMUJFWSA-N 296.330 2.639 30 50 CFEA C=CCn1c2ccccc2n2nc(C)c(C(C)=O)c12 275106 AVOOUSLOTSWBEB-UHFFFAOYSA-N 253.305 2.986 30 50 CFEA COC[C@@](C)(C#N)NC(=O)c1cc(Cl)sc1Cl 137239579 CYCQRWPYFJTVDW-SNVBAGLBSA-N 293.175 2.713 30 50 CFEA CN(C)/C=N/C(=O)NOCc1ccc(Cl)c(Cl)c1 3029796 UCZOOPPLUIDQPY-VGOFMYFVSA-N 290.150 2.725 30 50 CFEA Cc1cc(C)c(C#N)c(N2CC[C@@H](Oc3ccncc3)C2)n1 328587935 KCSJFYYHKCIYKP-OAHLLOKOSA-N 294.358 2.623 30 50 CFEA N#CCNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 124690744 YPIWTGZBYFBZDS-UHFFFAOYSA-N 262.618 2.612 30 50 CFEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cn1ccnc1CC 71749901 GOCBOFPTCQIJIN-ZIAGYGMSSA-N 273.380 2.567 30 50 CFEA CC[C@@H](CC#N)NC(=O)c1ccccc1OC1CC1 287701618 FYNSPMQULDSTQF-NSHDSACASA-N 258.321 2.650 30 50 CFEA C=C(C)COc1ccc(NC(=O)NCC2(C)COC2)cc1 299788144 QIFMBTIMQGUUFI-UHFFFAOYSA-N 290.363 2.800 30 50 CFEA CC(C)(C)OC(=O)N1CCC[C@@]2(C=O)CCC[C@@H]12 1772716271 DIMDOBRGSSYNEH-BXUZGUMPSA-N 253.342 2.755 30 50 CFEA CC(C)(C)NC(=O)Nc1ncccc1OCCCC#N 170604553 FCDKFNIVZSQALN-UHFFFAOYSA-N 276.340 2.684 30 50 CFEA C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)nnn2C 648533435 DRLRNMNCQGBPRJ-SNVBAGLBSA-N 258.325 2.509 30 50 CFEA N#Cc1ccc(F)c(CN2CCC[C@@H]2c2ccc(O)nn2)c1 599640524 HHRMUOYUKNZRLM-OAHLLOKOSA-N 298.321 2.530 30 50 CFEA N#CC1(CN2CCC(OC[C@@H]3CCOC3)CC2)CCCC1 585116771 HUMRBVIITFCOPH-OAHLLOKOSA-N 292.423 2.588 30 50 CFEA Clc1ccc(-n2cccc2/C=N/n2cnnc2)cc1 452552 VBVPJRDJINRONV-CAOOACKPSA-N 271.711 2.604 30 50 CFEA COC(=O)c1csc([C@@H](C#N)C2CCCC2)n1 167882751 JDBUPBODZHHTLC-VIFPVBQESA-N 250.323 2.727 30 50 CFEA Cc1cc(C#N)c(NCCC2(O)CCCC2)nc1C 826767267 CCLJIBJSMAHRPB-UHFFFAOYSA-N 259.353 2.677 30 50 CFEA N#Cc1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1 6679274 RYQAGEFFYVPEAI-UHFFFAOYSA-N 282.255 2.823 30 50 CFEA CCCCc1nnc(NC(=O)CC(C)(C)C#N)s1 330943113 FDFSMKICHBTGQR-UHFFFAOYSA-N 266.370 2.759 30 50 CFEA CCOC(=O)[C@@H]1[C@@H](CC)[C@@H]1B1OC(C)(C)C(C)(C)O1 1857779075 LZGOECFGEDSLSK-MXWKQRLJSA-N 268.162 2.668 30 50 CFEA CN(C)C(=O)c1cccc(-c2ccccc2C#N)c1 85476984 MKXJVNLPVPGUEI-UHFFFAOYSA-N 250.301 2.927 30 50 CFEA CCCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C#N 169808902 GXTBCXBFSFHRKY-UHFFFAOYSA-N 287.168 2.646 30 50 CFEA Cc1cc(C)[n+](CC(=O)c2ccc(F)cc2)c(C)c1 3130105 KVUGOCGIEFWKDF-UHFFFAOYSA-N 258.316 2.921 30 50 CFEA CCOc1ccc(C(=O)C[n+]2ccc(C)cc2)cc1 3132943 GFJVCYMFPUIHTP-UHFFFAOYSA-N 256.325 2.564 30 50 CFEA C=CCNC(=O)c1ccccc1NC(=O)Cc1ccccc1 4682027 ZEZRMAMZEMDTPY-UHFFFAOYSA-N 294.354 2.784 30 50 CFEA C=CCCc1nc(-c2c[nH]c3ccccc23)nn1CCO 670462334 PLBWWJYNYNNGKB-UHFFFAOYSA-N 282.347 2.537 30 50 CFEA C[C@@H]1Oc2ccccc2N(Cc2ccc(C#N)cc2)C1=O 36928471 XDAXJQGNPCGLQL-LBPRGKRZSA-N 278.311 2.872 30 50 CFEA in-vitro C=C[C@@H](C)OC(=O)c1cc(NC(C)=O)ccc1F 187594371 YPHFYBROEFBTCB-MRVPVSSYSA-N 251.257 2.515 30 50 CFEA Cc1ccc(N2CCN(/N=C/c3ccccn3)CC2)cc1 72806 HMVNYMGCZAHKCT-XMHGGMMESA-N 280.375 2.546 30 50 CFEA Cc1csc2cc(B3OC(C)(C)C(C)(C)O3)cnc12 1857786427 NVVCYIPIEIZRGF-UHFFFAOYSA-N 275.182 2.904 30 50 CFEA CC1=CC(=O)C=C(C)C1=NOC(=O)c1ccccc1 457543 FWMKHMAAWTVMDN-UHFFFAOYSA-N 255.273 2.675 30 50 CFEA CC1=C(Nc2ccc(C3=NNC(=O)C[C@H]3C)cc2)CCC1=O 3934224 DSRIICXPBQXOKK-SNVBAGLBSA-N 297.358 2.596 30 50 CFEA Fc1ccc(C#CCNc2ccc(-n3cncn3)cc2)cc1 135550893 RAXUGYSKVCSZIE-UHFFFAOYSA-N 292.317 2.870 30 50 CFEA N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3ccncc3)C2)C1 295892725 HWBJWJUFJIANLT-BMFZPTHFSA-N 255.365 2.953 30 50 CFEA CCOC(=O)c1cccc(C#Cc2ccc3nccn3c2)c1 1875303018 RJMCCUVDLRBVPC-UHFFFAOYSA-N 290.322 2.911 30 50 CFEA COCCc1ncc(CN2Cc3ccc(C#N)cc3C2)s1 602707235 FJAYNMKHDJQODT-UHFFFAOYSA-N 299.399 2.719 30 50 CFEA CN(C)C[C@@H](C/N=C(/O)CC#N)c1ccc(Cl)cc1 328597125 DSSPPAJNXMVRNP-GFCCVEGCSA-N 279.771 2.855 30 50 CFEA CC1(C)OB(c2cnc3sccc3c2)OC1(C)C 169747331 ZFALGGJIXOGZJQ-UHFFFAOYSA-N 261.155 2.596 30 50 CFEA Cc1cc(NCCCCO)n2c(nc3ccccc32)c1C#N 3877903 GNABGVZGNPIOIL-UHFFFAOYSA-N 294.358 2.852 30 50 CFEA Cc1cc(-c2cccc(CC(=O)O)c2)nc(C)c1C#N 1242262722 OEMRBSQPNZNPAH-UHFFFAOYSA-N 266.300 2.864 30 50 CFEA c1ccc(CN=C2NCC3(CCCCC3)CN2)cc1 1776005371 AOFMSPHUXDDPGR-UHFFFAOYSA-N 257.381 2.686 30 50 CFEA C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1O 166258282 XNVQKGRINDCFIQ-RNCFNFMXSA-N 284.281 2.784 30 50 CFEA C=CCc1cc(C)cc(C)c1OCCn1cncn1 618076 BUHCPLHZSRYIBX-UHFFFAOYSA-N 257.337 2.702 30 50 CFEA C=CCN1CCN(C(=O)CCC2CCCCC2)CC1 20160891 PLBUXUCEAVAYKJ-UHFFFAOYSA-N 264.413 2.677 30 50 CFEA C/C(NC(=O)c1ccccc1)=C1/C(=O)C[C@H]2[C@H]1C2(C)C 100591705 AEGPEQPADQUZBA-UOWDCBNXSA-N 269.344 2.935 30 50 CFEA biogenic CCCNc1ncc(-c2cc(C3CC3)nc(N)c2C#N)cn1 67727429 FKZSGQWTNKMYMU-UHFFFAOYSA-N 294.362 2.692 30 50 CFEA C=C/C(O)=N/[C@H](C)c1nc(Cc2ccccc2)no1 328597596 HWLJXHUYSNEOMV-SNVBAGLBSA-N 257.293 2.864 30 50 CFEA Oc1cccc(/C=N\N2CCN(c3ccccc3)CC2)c1 31841347 IAHBIDVTYVCLIU-JXAWBTAJSA-N 281.359 2.548 30 50 CFEA CN1CCC[C@@H](CN2CCC(C#N)(c3ccccc3)CC2)C1 299789829 ALEJEIQIOZAHFW-QGZVFWFLSA-N 297.446 2.886 30 50 CFEA N#Cc1cccc(-c2n[nH]cc2CNC2CC(F)(F)C2)c1 1875312562 ORSMWYHPPQLTNT-UHFFFAOYSA-N 288.301 2.836 30 50 CFEA CCc1nnc(C[C@@H]2CC[C@H](Nc3ncccc3C#N)C2)o1 952890472 AUHDRAVPTZNVOB-YPMHNXCESA-N 297.362 2.722 30 50 CFEA CC(C)(C)OC(=O)NCC1(C=O)CC2(CCC2)C1 1772717374 WSQYWJLCLBOURO-UHFFFAOYSA-N 253.342 2.661 30 50 CFEA CC1=C/C(=N\OC(=O)c2ccc(C)cc2)C=CC1=O 101909 PRUJARREBOBHQM-SSZFMOIBSA-N 255.273 2.593 30 50 CFEA C#CCCC1(CCOC(=O)c2cc(C)nc(C)c2)N=N1 2325900314 TUADJAVEFNIMLN-UHFFFAOYSA-N 271.320 2.821 30 50 CFEA C=CCNC(=O)c1ccc(OCC=C)c(Br)c1 8722904 NCOJPIYYZFUKSX-UHFFFAOYSA-N 296.164 2.930 30 50 CFEA O=c1[nH]c2ccccc2nc1N/N=C/c1ccccc1F 4023626 MGRBQRLFVADMDN-RQZCQDPDSA-N 282.278 2.508 30 50 CFEA CC(C)(C#N)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 175022449 JUEDMUHEKDAGJU-UHFFFAOYSA-N 294.276 2.723 30 50 CFEA CC(C)[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1N(C)C 92028646 WSRCBHDYEQVQKB-DLBZAZTESA-N 271.408 2.576 30 50 CFEA CC1(C)CN(c2cncc(C#N)n2)Cc2ccccc2O1 584284857 HVIUGGPTMRNWGW-UHFFFAOYSA-N 280.331 2.526 30 50 CFEA C[C@H](O)C#CC(=O)N(c1ccccc1)c1ccccc1 200836172 YGFCFRBHEOHPJI-AWEZNQCLSA-N 265.312 2.736 30 50 CFEA CC[C@H](N=c1cc(C)c(C#N)c(C)[nH]1)c1ccncc1 2356140046 RGUUSAWNJUTOTQ-HNNXBMFYSA-N 266.348 2.950 30 50 CFEA C=C(C)COc1ccc(C(=O)NC[C@H]2CCCCO2)cc1 55384271 AYMXXXUOLORZRQ-MRXNPFEDSA-N 289.375 2.940 30 50 CFEA COCC1(NC(O)=Nc2c(C)noc2C2CC2)CCC1 329028749 KPJQBQOIZABUBL-UHFFFAOYSA-N 279.340 2.565 30 50 CFEA C=CCNS(=O)(=O)c1cc(C(C)C)c(C)cc1OC 36638832 XSHJONFHLWHRAW-UHFFFAOYSA-N 283.393 2.591 30 50 CFEA CC(=O)Oc1c(C)c(C)c(OC[C@@H]2CO2)c(C)c1C 48564193 CJKLXWZTOVEVHQ-ZDUSSCGKSA-N 264.321 2.623 30 50 CFEA C=C(F)C1(CC(=O)Nc2n[nH]c3ccncc23)CCC1 1875298213 RPWZAJHLLQHFDA-UHFFFAOYSA-N 274.299 2.940 30 50 CFEA CCSC(=S)S[C@](C)(C#N)CCC(=O)O 115962581 KEWSCDNULKOKTG-VIFPVBQESA-N 263.409 2.905 30 50 CFEA in-vitro CCOC(C/N=C/c1ccc(OC)c(OC)c1)OCC 3051845 HETAFPPFNUBETH-MHWRWJLKSA-N 281.352 2.522 30 50 CFEA C=CCCCCCCNC(=O)c1nccn2cc(C)nc12 805218304 VSAMXPILDPQTEI-UHFFFAOYSA-N 286.379 2.904 30 50 CFEA CC(C)[C@H]1C/C(=N\NC(N)=S)C=C2CCCC[C@@H]21 5015891 XGXXCLXVNNPUDX-NXDAUVMYSA-N 265.426 2.968 30 50 CFEA O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)c2ccccc21 115992 DNIHIVDMRMUGIG-UHFFFAOYSA-N 295.250 2.763 30 50 CFEA Cc1cc[n+](CC(=O)Nc2nc3ccccc3s2)cc1 2946899 YRLSTBVKWKMMBE-UHFFFAOYSA-O 284.364 2.531 30 50 CFEA CC[N+](CC)(CC)CC(=O)OCc1ccccc1 3106407 ZVLIOQDVCSOGNU-UHFFFAOYSA-N 250.362 2.606 30 50 CFEA C=CCN(C(=O)c1cnc(C)nc1C)C1CCCC1 67847372 ICVJTNFQWMEUCR-UHFFFAOYSA-N 259.353 2.664 30 50 CFEA C#CCNC(=O)c1ccc(Cl)cc1SCC 121570346 LYYGIMGQMLPFIA-UHFFFAOYSA-N 253.754 2.815 30 50 CFEA C=C(C)CN(C)C(=O)Nc1ccc(Br)cn1 122135215 GUMLLUDXKCGHEC-UHFFFAOYSA-N 284.157 2.884 30 50 CFEA C=CCN1CC[C@@H](CNc2cc(C(C)C)nc(C)n2)C1 65488679 NNAZBEOOMWQBBY-AWEZNQCLSA-N 274.412 2.828 30 50 CFEA C=CCN1C(=O)O[C@@](C)(CCC=C(C)C)[C@]1(C)O 49485 UOKVKKBVZREBLQ-KBPBESRZSA-N 253.342 2.838 30 50 CFEA O=C(/C=C/c1ccc(O)c([N+](=O)[O-])c1)c1cncc(F)c1 150950028 GHQQJMAWNATFRZ-HNQUOIGGSA-N 288.234 2.731 30 50 CFEA C#CCOC(=O)C(C=C=C)(C(F)(F)F)C(F)(F)F 3182837 PGFIKNDJOCIVIB-UHFFFAOYSA-N 272.144 2.615 30 50 CFEA N#Cc1cccc(CN2CC[C@]3(CCCO3)CCC2=O)c1 72166654 MJJHVLYVPZUUQL-KRWDZBQOSA-N 284.359 2.620 30 50 CFEA N#Cc1ccncc1N1CC[C@@H](n2cc3ccccc3n2)C1 371658402 ALPUEQDGQOLBPQ-OAHLLOKOSA-N 289.342 2.754 30 50 CFEA COC(=O)c1ccc(C#Cc2ccccc2)cc1C(=O)OC 35838332 UIQDAPDTHCOARC-UHFFFAOYSA-N 294.306 2.660 30 50 CFEA N#CCCCC(=O)Nc1cc(C(F)(F)F)ccn1 291982853 UXAAXDMNHWZEOI-UHFFFAOYSA-N 257.215 2.733 30 50 CFEA C=CC(C)(C)C(=O)NCc1ncc(C(C)(C)C)o1 295384877 SQPPREZNHKWRJK-UHFFFAOYSA-N 250.342 2.801 30 50 CFEA CC#CC(=O)N(C)[C@@H](Cc1ccccn1)C(C)(C)C 1875363196 BMOXQOHSWHJLAA-AWEZNQCLSA-N 258.365 2.521 30 50 CFEA N#Cc1cc([N+](=O)[O-])ccc1NC1CC(Cn2cccn2)C1 1776006201 NHUNDPIQAJXNIH-UHFFFAOYSA-N 297.318 2.554 30 50 CFEA CC1(C)OB(c2ccc(C(F)F)cc2)OC1(C)C 169747323 XOIBKPJPWFARFO-UHFFFAOYSA-N 254.085 2.923 30 50 CFEA in-vitro CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)C1 169747649 OIZXJJIHVIYNKZ-UHFFFAOYSA-N 295.188 2.795 30 50 CFEA in-vitro Cc1cccc(C(=O)O/N=C2\C(=O)N(C)c3ccccc32)c1 288871 IJHNNYZJAPTFPJ-SDXDJHTJSA-N 294.310 2.533 30 50 CFEA aggregator N#Cc1cc(N2CC(F)(F)C2)ccc1Br 169725809 FMZLMMSTRTWTJS-UHFFFAOYSA-N 273.080 2.776 30 50 CFEA Cc1ccc(-n2c(C)cc(/C=N/OCC(N)=O)c2C)c(C)c1 2325721578 UDTBBQPZIFDODF-DJKKODMXSA-N 299.374 2.547 30 50 CFEA O/N=C/c1nc(-c2ccccc2)nn1-c1ccccc1 32593329 JVUSXLMKISTQGF-LFIBNONCSA-N 264.288 2.742 30 50 CFEA N#Cc1ccc(NC(=O)N2CCC3(CCNCC3)CC2)cc1 262564015 WFNWOQCCNOOAAE-UHFFFAOYSA-N 298.390 2.556 30 50 CFEA CC1(C)OB(c2c(F)cc(F)c(F)c2F)OC1(C)C 199594100 DOMOGOUPBJPOIB-UHFFFAOYSA-N 276.038 2.542 30 50 CFEA C=C[C@@H](CC(=O)N(OC)[C@@H](C)CC(=O)O)c1ccccc1 1602813308 VKLHCVZKZOEJKN-STQMWFEESA-N 291.347 2.600 30 50 CFEA C#CCCOc1ccc(CNc2nncn2C2CC2)cc1 813354233 OKLCNXJZJIXYNI-UHFFFAOYSA-N 282.347 2.627 30 50 CFEA C=C(C)COc1ccc(C(=O)NCc2ccncc2)cc1 6715892 AYETZLLJYDFTFB-UHFFFAOYSA-N 282.343 2.967 30 50 CFEA CCc1c(C(C)C)nc(N)c(C#N)c1-c1cnc(OC)nc1 71750318 NBNIRSZPVHYXHS-UHFFFAOYSA-N 297.362 2.687 30 50 CFEA Cc1c(C#N)c(N2CCC[C@H](CO)C2)nc2ccccc12 296480795 KNJVHKRNLKCOAA-ZDUSSCGKSA-N 281.359 2.624 30 50 CFEA Cn1ccnc1C1CCN(Cc2cccc(C#N)c2)CC1 91625523 FYUCMMATAFATMG-UHFFFAOYSA-N 280.375 2.671 30 50 CFEA N#C[C@@H]1C[C@@H](F)CN1C(=O)c1cc(Cl)ccc1F 1875370197 FSGDUGWVRSAZOI-BDAKNGLRSA-N 270.666 2.555 30 50 CFEA CC1(C)CN(c2cc(C#N)cnn2)Cc2ccccc2O1 596235217 UMZNYHBOKHONMG-UHFFFAOYSA-N 280.331 2.526 30 50 CFEA Cc1c[nH]c2c(B3OC(C)(C)C(C)(C)O3)cccc12 169978327 BMBWYAHYJLTCPP-UHFFFAOYSA-N 257.142 2.776 30 50 CFEA C=CCc1cc(CN2C[C@H](C)O[C@H](C)C2)c(O)c(OC)c1 17323069 XLPOFFREQSDPEX-BETUJISGSA-N 291.391 2.739 30 50 CFEA C=C(CN1CCC[C@@H](Oc2ccccc2Cl)C1)C(=O)O 2325852230 XBLHKBHETASZOT-GFCCVEGCSA-N 295.766 2.824 30 50 CFEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1C(C)C 407591 VPMRLKRRCREJRC-ZDUSSCGKSA-N 291.391 2.952 30 50 CFEA C=CCNC(=S)Nc1nc(C(C)(C)C)cs1 2279086 FXRSOZBVNAJMSQ-UHFFFAOYSA-N 255.412 2.913 30 50 CFEA Cc1c([S+](C)C)c2ccccn2c1[S+](C)C 4566309 OIQBHVJSCDFSBP-UHFFFAOYSA-N 253.436 2.721 30 50 CFEA N#Cc1cccnc1SCC(=O)Nc1cccc(F)c1 7051724 NPIPKZMFVRCOSS-UHFFFAOYSA-N 287.319 2.823 30 50 CFEA CC(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 170004292 ZTFIUAJGQDWYBC-UHFFFAOYSA-N 295.575 2.598 30 50 CFEA CC(O)=Nc1ccn([C@H]2CCN(c3cc(C)ccn3)C2)n1 328612036 NNPRJFWAJBKAIS-ZDUSSCGKSA-N 285.351 2.646 30 50 CFEA CO[C@@H]1CCC[C@@H](/C(O)=N/[C@H]2c3ccccc3C[C@H]2O)C1 328919458 LKCCWFGALVPUPN-XOUADPBQSA-N 289.375 2.806 30 50 CFEA N#C[C@H]1C(=S)N=C(c2cccnc2)C=C1C(F)(F)F 39334922 HGWBCCRKWRHIIS-MRVPVSSYSA-N 281.262 2.840 30 50 CFEA C[C@@H]1CC(=O)C=C(N2CCN(c3ccccc3)CC2)C1 3199423 MWVKMHUWBBXDIL-AWEZNQCLSA-N 270.376 2.692 30 50 CFEA CCc1c(C#N)c(N)nc2c1CN(c1cccc(C)c1)CC2 72148335 YARPLMFVDHQIKM-UHFFFAOYSA-N 292.386 2.969 30 50 CFEA N#Cc1cccc(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)c1 222442714 MFMRRQZXBVZWQR-HNNXBMFYSA-N 297.402 2.553 30 50 CFEA C=CC[C@@]1(CO)CCCN(Cc2cc(F)ccc2OC)C1 92022724 IYLJNRRFNOMIIN-QGZVFWFLSA-N 293.382 2.985 30 50 CFEA C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)[C@@H]1CO1 1875372608 JGYLOTFONGADNE-ZFWWWQNUSA-N 279.767 2.662 30 50 CFEA C[C@H](Nc1ncc2c(n1)CCOC2)c1ccc(C#N)cc1 1875286236 LTSPBVBABOYWQK-NSHDSACASA-N 280.331 2.594 30 50 CFEA C=CCN(Cc1ccsc1)C(=O)C1(N)CCCC1 952960981 ULGDGVBSTRHNQD-UHFFFAOYSA-N 264.394 2.534 30 50 CFEA CC1(C)OB(c2ccc(Cl)c(F)c2)OC1(C)C 169747303 XJZYKURDYQAGGN-UHFFFAOYSA-N 256.513 2.778 30 50 CFEA in-vitro CC1(C)OB(c2ccc(-c3cnoc3)cc2)OC1(C)C 206172556 DTILHVPEWGXXCZ-UHFFFAOYSA-N 271.125 2.641 30 50 CFEA N#CCCN1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280351163 IHZVKZASLBVZNG-GXFFZTMASA-N 284.281 2.727 30 50 CFEA OC1=C/C(=N\c2cccc(Sc3ncccn3)c2)CN1 1848443901 AMJHGSWUEHYTOY-WOJGMQOQSA-N 284.344 2.703 30 50 CFEA COc1cc(/C=N/N2CCCCC2)cc(OC)c1OC 1606279 VOWJUHFCGOOGPB-LFIBNONCSA-N 278.352 2.532 30 50 CFEA C=CCC1(CNC(=O)c2ccc(C(N)=O)cc2)CCCC1 456484099 IGUVETMUVROWIE-UHFFFAOYSA-N 286.375 2.652 30 50 CFEA C=CCOc1ccc(C=O)cc1I 2777101 AFXROUVPUMKZHU-UHFFFAOYSA-N 288.084 2.669 30 50 CFEA COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cn1 618742309 MHHDSELQMHFOCV-INIZCTEOSA-N 279.343 2.739 30 50 CFEA CCOC(=O)c1cccc(C#Cc2cn3ccccc3n2)c1 1875302894 LOVRQTSODWWGNW-UHFFFAOYSA-N 290.322 2.911 30 50 CFEA Cc1cc(O)ccc1NC(=O)Nc1nn(C(C)C)cc1C#N 170604285 YYTNRKGQLFXURY-UHFFFAOYSA-N 299.334 2.994 30 50 CFEA Cc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 471578 GZDRYMKLKOITTR-UHFFFAOYSA-N 266.300 2.884 30 50 CFEA Cc1cc(C)c(C(=O)/C=C/c2ccc(N(C)C)cc2)c(=O)[nH]1 3997121 KTWUHSLEWGVEEG-JXMROGBWSA-N 296.370 2.954 30 50 CFEA CN(C(=O)CSc1ncccc1C#N)C1CCCCC1 7051646 AEIDYRNNKBZGNH-UHFFFAOYSA-N 289.404 2.836 30 50 CFEA Cc1c(Cl)cnc(N2CCC[C@@H](N(C)C)CC2)c1C#N 253431403 GZDXIVGGFRVSNA-GFCCVEGCSA-N 292.814 2.836 30 50 CFEA CCC#CCN1CCC(c2cc(N3CCCC3)ncn2)CC1 72410575 NKTFUAZVHIPFIT-UHFFFAOYSA-N 298.434 2.670 30 50 CFEA CC(C)(CN=c1[nH]c(C#N)c(Cl)s1)c1cccnc1 596274904 XNCCDQLHKRNIJD-UHFFFAOYSA-N 292.795 2.875 30 50 CFEA CCC#CCN1CCC(CNC(=O)[C@H]2C[C@H]2CCC)CC1 1616101625 DJZVJYGMFKOOFB-SJORKVTESA-N 290.451 2.664 30 50 CFEA O=[N+]([O-])c1ccc(N/N=C/c2ccccc2O)cc1 4547819 VQIJGQPVYQKSSH-NTEUORMPSA-N 257.249 2.746 30 50 CFEA CCc1nc(C#N)cc(N(C)[C@H](C)c2ccccn2)n1 408524532 VINZOGWGZFBJFO-LLVKDONJSA-N 267.336 2.503 30 50 CFEA N#Cc1cc(Cl)ccc1-n1cc(-c2ccc(F)nc2)nn1 2325818300 PMRALOVNGDGLDB-UHFFFAOYSA-N 299.696 2.993 30 50 CFEA Cn1c([C@H](NCC#N)c2ccccc2)nc2ccccc21 125994263 SDDUALNWPPUTHO-MRXNPFEDSA-N 276.343 2.776 30 50 CFEA Cc1cc(C#N)cnc1N1CCC[C@H]1[C@H]1CCCOC1 1875294334 FINXELDZNBFRQK-GJZGRUSLSA-N 271.364 2.657 30 50 CFEA CC1=C(C)/C(=N\OC(=O)c2cccc(C)c2)C=CC1=O 101990 KQQWVSVOCIONCL-VKAVYKQESA-N 269.300 2.983 30 50 CFEA C=C[C@@](C)(O)c1cn(Cc2ccc(Cl)cc2C)nn1 900607436 KEIGUNGUTDXTBV-CQSZACIVSA-N 277.755 2.682 30 50 CFEA CCc1noc(C)c1C(=O)Nc1ccccc1C#N 6698730 GGUOEKFNXMFHDR-UHFFFAOYSA-N 255.277 2.669 30 50 CFEA CCCC(=O)Nc1ccc(C=C(C(C)=O)C(C)=O)cc1 296403 MGUKABDBPIJLFU-UHFFFAOYSA-N 273.332 2.987 30 50 CFEA N#CCc1ccnc(Br)c1C(F)(F)F 238563192 JBSWYQCLWCUGPG-UHFFFAOYSA-N 265.032 2.929 30 50 CFEA O=C([C@@H]1CO1)N1CCC(c2cccc3ccccc23)CC1 1875372532 HSGSEHZMPVKTBX-KRWDZBQOSA-N 281.355 2.945 30 50 CFEA CCCN(C)C/C(O)=N/C[C@H]1CCO[C@@H]1C(C)(C)C 328610587 IOLFZAOASHIKLB-OCCSQVGLSA-N 270.417 2.736 30 50 CFEA N#Cc1nc(N2CCC[C@@H](c3ccncn3)C2)ccc1Cl 369027829 ROAGSNXJOHZZNJ-LLVKDONJSA-N 299.765 2.781 30 50 CFEA Cc1[nH]nc(NCc2ccc3c(c2)C[C@H](C)O3)c1C#N 922171472 LRJYSXQRZVPKKY-VIFPVBQESA-N 268.320 2.525 30 50 CFEA O=C(CCCOc1ccc(Cl)cc1Cl)NO 4148261 FDFDFGDYDFYYCM-UHFFFAOYSA-N 264.108 2.658 30 50 CFEA CC1(C)N/C(=C\C(=O)c2ccccc2)N(O)C1(C)C 100708002 LCJYUBDIDALCQY-JLHYYAGUSA-N 260.337 2.562 30 50 CFEA COc1cc(B2OC(C)(C)C(C)(C)O2)cc(F)c1Cl 306495299 BWNVIVMYXUYRGK-UHFFFAOYSA-N 286.539 2.787 30 50 CFEA Cc1ccc(N2CC[C@H](O)c3ccccc3C2)nc1C#N 364978319 GXOMFKSJAPLELN-INIZCTEOSA-N 279.343 2.705 30 50 CFEA C#CCCCCCCN1C(=O)c2ccccc2C1=O 72194298 XQFWQWUIBPUXLG-UHFFFAOYSA-N 255.317 2.866 30 50 CFEA N#Cc1ccc(Oc2ccc(CO)cc2)cc1C#N 85224410 NCTXRQVAZBODIP-UHFFFAOYSA-N 250.257 2.715 30 50 CFEA CC1(C)OB(c2ccc([C@@H]3OCC3(F)F)cc2)OC1(C)C 1535643096 BKBDSTWCXBXKID-LBPRGKRZSA-N 296.122 2.692 30 50 CFEA N#Cc1cnc(Nc2ccc3scnc3c2)cn1 225410668 LIGSMMAMLDYEQI-UHFFFAOYSA-N 253.290 2.702 30 50 CFEA N#C[C@@H](C(=O)c1nccs1)c1nc(C2CC2)cs1 647379495 NPHOFSJDDCILSZ-QMMMGPOBSA-N 275.358 2.967 30 50 CFEA COc1ccccc1N1CCN(/N=C/c2ccc(C)o2)CC1 46630 MUTUTOHYENDNAB-QGOAFFKASA-N 299.374 2.753 30 50 CFEA C#CCN1C(=O)S/C(=C/c2ccccc2C)C1=O 1154914 WTCMCXYENADLMI-FMIVXFBMSA-N 257.314 2.665 30 50 CFEA Sc1nnc(-c2ccncc2)n1/N=C/C=C/c1ccco1 2337526 MUSJFLNMBQBELM-JLALNBPMSA-N 297.343 2.769 30 50 CFEA O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccncc1 4566601 JXHPGPGVSWYSSS-PLNGDYQASA-N 254.245 2.886 30 50 CFEA Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccn2)n1 3092671 OMWSBYHMEUXTCB-UHFFFAOYSA-N 298.371 2.696 30 50 CFEA COCCCNc1oc(-c2ccc(OC)cc2)nc1C#N 2363241 JSYLMXKWTALYQA-UHFFFAOYSA-N 287.319 2.670 30 50 CFEA N#Cc1cccc(/C=C/C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)c1 119983427 IFJJSKDHJYIALO-NGHLMZTLSA-N 296.370 2.599 30 50 CFEA CN1CCCC[C@H]1CCn1cc(C#N)c(=O)c2ccccc21 284306366 RZSGPADVQPLSMY-HNNXBMFYSA-N 295.386 2.748 30 50 CFEA C[C@]1(C#N)CCCN(C(=O)CCC(=O)Nc2ccccc2)C1 584899602 HMXQUCNVHMRCKO-QGZVFWFLSA-N 299.374 2.558 30 50 CFEA CC(C)(C)OC(=O)N1CCC[C@]2(C=CC(=O)C2)C1 1536221879 OQASDNWAOBMNEK-CQSZACIVSA-N 251.326 2.533 30 50 CFEA Cc1cccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)c1 448588 GGPILWYCLXYGIM-DJKKODMXSA-N 279.347 2.876 30 50 CFEA Fc1ccccc1COc1ccccc1/C=N/n1cnnc1 459861 VOLAROBIHGASFA-AWQFTUOYSA-N 296.305 2.878 30 50 CFEA CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(C)=O 4503799 FFZLRSDHIQDPJL-OAHLLOKOSA-N 288.347 2.692 30 50 CFEA COc1ccc([C@@H]2O[C@]23Cc2ccccc2C3=O)cc1OC 1572015 JCENLDBODYOIBO-ROUUACIJSA-N 296.322 2.953 30 50 CFEA C(=N/Nc1cc(N2CCCCC2)ncn1)\c1ccco1 4947127 CVKGJUIGFMCKBY-LICLKQGHSA-N 271.324 2.506 30 50 CFEA CC(C)c1noc([C@H](C)NC(=O)c2cccc(C#N)c2)n1 67675885 BHTCPJBMVASCFY-JTQLQIEISA-N 284.319 2.556 30 50 CFEA O=C1C2=C(NC(=S)N[C@@H]2c2ccccc2)c2ccccc21 2365334 BGQSZBPWPOXQTF-CQSZACIVSA-N 292.363 2.813 30 50 CFEA biogenic O=C1C(=CNc2ccc3cn[nH]c3c2)C(=O)c2ccccc21 5590014 ORZDBRWRVVOIEF-UHFFFAOYSA-N 289.294 2.938 30 50 CFEA COc1nccc(-c2ccnc3[nH]ccc23)c1C#N 72423892 DHUZRKHTYHSAKB-UHFFFAOYSA-N 250.261 2.505 30 50 CFEA CC1=CC[C@]2(CC#N)c3ccccc3C(=O)C(=O)[C@@H]2C1 71778731 UGRGYXKVSTVLAK-YOEHRIQHSA-N 265.312 2.960 30 50 CFEA Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1CN1CCCC1 178650992 VKKJUATXEYDEGB-MRXNPFEDSA-N 297.402 2.567 30 50 CFEA C=CCNCCOc1ccc(Br)cc1C 3003734 KWOWXRYKKNGDOJ-UHFFFAOYSA-N 270.170 2.912 30 50 CFEA CN1CCC[C@@H](Nc2ccc(C#N)nn2)c2ccccc21 1775988674 MFFXSZOXDAAGIL-CQSZACIVSA-N 279.347 2.731 30 50 CFEA Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 195782204 IVNMVIMOKWBLKH-UHFFFAOYSA-N 252.550 2.948 30 50 CFEA NC(=S)N/N=C1\CCCC[C@@H]1C1=CCCCC1 5015571 VGVSLVKOTRYKIK-UAKDJOGKSA-N 251.399 2.866 30 50 CFEA Cc1cccc[n+]1CC(=O)Nc1cccc(C(F)(F)F)c1 5884140 BDDJPQIFTULPLI-UHFFFAOYSA-O 295.284 2.940 30 50 CFEA CC#CC(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 15073123 HWURBZLPGMWRIG-HNNXBMFYSA-N 291.354 2.661 30 50 CFEA CC#CC[C@@H](CO)NCc1ccc(C)cc1Br 641767276 IDQZMRPSGHSKDW-ZDUSSCGKSA-N 296.208 2.621 30 50 CFEA CC1(C)[C@H]2OCC[C@H]2[C@H]1NCCc1cccc(C#N)c1 374250637 LPMUDIOLDFECMC-XHSDSOJGSA-N 270.376 2.504 30 50 CFEA O=C(O)CO/N=C/c1ccc(-c2ccccc2)cc1 44125351 SRDCWWJSBCOQOS-MHWRWJLKSA-N 255.273 2.789 30 50 CFEA C(=NNc1nnn[nH]1)c1c2ccccc2cc2ccccc12 239046633 FVBJYULTVHHCDR-UHFFFAOYSA-N 288.314 2.952 30 50 CFEA C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NCc1nnc(CC)o1)C2 1565511385 OEZQJHCPPLFEOM-BDJLRTHQSA-N 289.379 2.631 30 50 CFEA C=C(C)CN(CC)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 12455567 OHYOBJXZOUGFQR-CQSZACIVSA-N 292.423 2.592 30 50 CFEA Cc1ccccc1C/C(O)=N/C[C@H]1CCn2ccnc2C1 328626331 LONNVWHSWUQNCM-AWEZNQCLSA-N 283.375 2.953 30 50 CFEA CC(C)=C[C@@H]1[C@H](C(=O)[C@H](C#N)C(=O)N2CCCC2)C1(C)C 252512200 OABPECDHZCEOCK-BFHYXJOUSA-N 288.391 2.556 30 50 CFEA C#Cc1cccc(NS(=O)(=O)Cc2ccc(C)cc2)c1 328595830 FYDVFDCHBRDHSL-UHFFFAOYSA-N 285.368 2.918 30 50 CFEA C#CCNC(=O)[C@@H](C)c1ncc(C(F)(F)F)cc1Cl 3134794 PKEFJBLEUYAKIY-ZETCQYMHSA-N 290.672 2.607 30 50 CFEA CC#CC(=O)NCc1ccc(OC)cc1OC1CCCC1 283197307 MHXCXJMEQCZAAQ-UHFFFAOYSA-N 287.359 2.656 30 50 CFEA CC1(C)OB(c2cncc3sccc23)OC1(C)C 242750319 ZLKKGJISYOYDIA-UHFFFAOYSA-N 261.155 2.596 30 50 CFEA CC1(C)OB(C[C@@H]2CCN(C(=O)CC3CC3)C2)OC1(C)C 1875368790 PRNDLVNZWKDJRR-ZDUSSCGKSA-N 293.216 2.727 30 50 CFEA CC1(C)OB(c2ccc(O)c(C(F)(F)F)c2)OC1(C)C 169993780 WZSVHNDUFOKGNN-UHFFFAOYSA-N 288.074 2.710 30 50 CFEA in-vitro COCCC(O)=Nc1cnc2c(Br)cccn12 328591792 KLISRFJXVCEHIB-UHFFFAOYSA-N 298.140 2.721 30 50 CFEA C=CCN(CC=C)C(=O)c1cc(OC)c(OC)c(OC)c1 1855573 QWDULLNANXZPOE-UHFFFAOYSA-N 291.347 2.527 30 50 CFEA C=CCn1c([C@H](C)NC(=O)CC)nc2ccccc21 2721376 JKNPBCPMTRTHPB-NSHDSACASA-N 257.337 2.810 30 50 CFEA C=CCN1C[C@H](c2nc3ccccc3n2CC=C)CC1=O 4385972 BKWMVPISPDRUQS-CYBMUJFWSA-N 281.359 2.724 30 50 CFEA C=C(C)COc1ccc(C(=O)NCc2nccn2CC)cc1 55245029 ZTBHPFMXZMVEOS-UHFFFAOYSA-N 299.374 2.788 30 50 CFEA Cn1ccc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)c1 67982824 VNJCXHYSGCPCPX-UHFFFAOYSA-N 275.315 2.603 30 50 CFEA C#CCNC(=O)[C@H](C)c1ncc(C(F)(F)F)cc1Cl 3134795 PKEFJBLEUYAKIY-SSDOTTSWSA-N 290.672 2.607 30 50 CFEA CC(C)(C)OC(=O)N1CCC(C#N)(C(F)F)CC1 260861643 JRBOJNFHWFKXQW-UHFFFAOYSA-N 260.284 2.792 30 50 CFEA N#CC1(c2nc(-n3nnc4ccccc43)no2)CCCCC1 585120366 JUFAUQGFHUHSMM-UHFFFAOYSA-N 294.318 2.529 30 50 CFEA C=CC[C@H](C(=O)NCc1nn(C)cc1C)c1ccccc1 1615605991 QZPYUBLATPEKAD-HNNXBMFYSA-N 283.375 2.705 30 50 CFEA CC(C)(C)c1ccc(C(=O)O/N=C(\N)c2cccnc2)cc1 4191389 QLNRWAKNTANNDP-UHFFFAOYSA-N 297.358 2.856 30 50 CFEA OC1=N[C@@H](/C(O)=N/[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 329667691 RQCFGNOYZWECML-WHGOUJPWSA-N 280.274 2.896 30 50 CFEA CC#CC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 801174129 KOZZFIDKAFKVIT-UHFFFAOYSA-N 275.311 2.987 30 50 CFEA O=C(C(=NO)C(=O)c1ccccc1)c1ccccc1 346937 MWISEGXUQFVTPO-UHFFFAOYSA-N 253.257 2.582 30 50 CFEA C=C(C)Cn1c(CCNC(=O)CC)nc2ccccc21 2601770 JYKUUHZASGCUAV-UHFFFAOYSA-N 271.364 2.681 30 50 CFEA C=CCNCc1ccccc1OCC(=O)Nc1ccccc1 6700873 IGESJWZXYZVUQH-UHFFFAOYSA-N 296.370 2.980 30 50 CFEA C[C@@H](CC#N)NC(=O)Nc1ncc(C(F)(F)F)s1 282948203 AUSULKZMPSBYNL-YFKPBYRVSA-N 278.259 2.586 30 50 CFEA CC1(C)OB(CC(=O)c2ccc(O)cc2)OC1(C)C 170007958 DTVIRJJQODEPSR-UHFFFAOYSA-N 262.114 2.667 30 50 CFEA Sc1nnc(-c2cccs2)n1/N=C/c1ccco1 4060785 JBMOABCHHPDJTI-KPKJPENVSA-N 276.346 2.771 30 50 CFEA CN(CCc1cccc([N+](=O)[O-])c1)c1ncccc1C#N 241719877 QQLOTTJMXCWYBO-UHFFFAOYSA-N 282.303 2.540 30 50 CFEA C=CCCC(=O)N1CCO[C@@H](CCc2ccccc2)C1 11872924 MKDXZCPNMYFGPI-INIZCTEOSA-N 273.376 2.813 30 50 CFEA Cn1nc(B2OC(C)(C)C(C)(C)O2)c2cc(Cl)ccc21 169988715 WQHRVDGSROIAFG-UHFFFAOYSA-N 292.575 2.526 30 50 CFEA C[C@H](NC(=O)CC#N)c1nc2cc(Cl)c(Cl)cc2[nH]1 585087863 YRZVLIBUXJYJQN-LURJTMIESA-N 297.145 2.961 30 50 CFEA C=CCN(C(=O)c1ccc2c(c1)OCCN2C)C(C)C 71682225 YIVRZAULDDHOHK-UHFFFAOYSA-N 274.364 2.552 30 50 CFEA CC(C)(C)C(=O)Nc1ccc(/C=N/O)nc1Cl 35270470 AMTBFOGWMWANQE-AWNIVKPZSA-N 255.705 2.528 30 50 CFEA C=CC[C@@]1(CO)CCCN(C(=O)CCc2ccsc2)C1 91876487 QOJBFMQUJSCENA-MRXNPFEDSA-N 293.432 2.858 30 50 CFEA CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CC[C@@H](C#N)C1 221873735 WXDJCKADIBQUIR-BZPMIXESSA-N 290.338 2.792 30 50 CFEA C#CCC(C)(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C 193657358 PJSIIFKBWFXFBG-ZBFHGGJFSA-N 286.419 2.844 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N1C[C@H](CO)Cc2cccc(F)c21 585126587 CIKJZCKKEDHAIK-CHWSQXEVSA-N 291.366 2.926 30 50 CFEA Cc1n[nH]c(=S)n1/N=C/c1cccc(Cl)c1 5730843 HZPJNCFRFKPROB-WUXMJOGZSA-N 252.730 2.785 30 50 CFEA C#CCSc1nc2sc3c(c2c(=O)n1C)CCCC3 2298434 WIVPEUNSJODLJW-UHFFFAOYSA-N 290.413 2.599 30 50 CFEA O=[N+]([O-])c1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])cc1 4673474 BZYSETGTAMPLET-NTEUORMPSA-N 286.247 2.949 30 50 CFEA N#Cc1cccc(C#N)c1N1CC[C@@H](O)c2ccccc2C1 365553310 XHOPWTCCSHDVLP-QGZVFWFLSA-N 289.338 2.874 30 50 CFEA C=CCN(Cc1ccccc1OC)C(=O)c1ncoc1C 952961149 PLTVNFNZNWHVFF-UHFFFAOYSA-N 286.331 2.820 30 50 CFEA N#Cc1cc([N+](=O)[O-])ccc1NC1CC(Cn2ccnc2)C1 1776006395 VGNKKXASPRZQTH-UHFFFAOYSA-N 297.318 2.554 30 50 CFEA CC1(C)OB(c2cc(-c3ccccc3)c[nH]2)OC1(C)C 206167389 WYDNTQHALCWDJV-UHFFFAOYSA-N 269.153 2.981 30 50 CFEA CCCNc1ccccc1NC(=O)c1c[nH]c(C#N)c1 190146057 FGECGZYXJWYTQS-UHFFFAOYSA-N 268.320 2.961 30 50 CFEA Cc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)o1 442040 QVDXHQRRSGSOFU-RIYZIHGNSA-N 298.751 2.554 30 50 CFEA CC(C)c1ccc(-c2ccc(=O)n(CCC#N)n2)cc1 5614109 BLMMSWCSYPYYTF-UHFFFAOYSA-N 267.332 2.947 30 50 CFEA N/C(=N\OC(=O)CCC1CCCCC1)c1ccncc1 4560218 WPYATOGOHNDEPV-UHFFFAOYSA-N 275.352 2.606 30 50 CFEA Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2C)cc1 1715934 WBNXGRRFYWWFBO-LFIBNONCSA-N 288.372 2.616 30 50 CFEA C=CCn1cc(CN2CCC[C@@H]2CN(CC)CC)c(C)n1 55168780 LZLKZQDRMZLTSD-QGZVFWFLSA-N 290.455 2.684 30 50 CFEA O=C1C=C(Nc2cccc([N+](=O)[O-])c2)c2ccccc2C1=O 100320146 GZQZWBZJRIBUAA-UHFFFAOYSA-N 294.266 2.813 30 50 CFEA Cc1cscc1NC(=O)C(=O)Nc1ccc(C#N)cc1 119997853 NPFRIPZWMOEDLK-UHFFFAOYSA-N 285.328 2.505 30 50 CFEA N#CCc1ncc(Br)cc1Br 135202084 BSCQIMFLFBTPDF-UHFFFAOYSA-N 275.931 2.673 30 50 CFEA CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 196132253 OJVAGVQSPOKZKM-UHFFFAOYSA-N 274.107 2.721 30 50 CFEA C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)CC#N)cc1 298273131 LFIUMEPODBFTAT-LBPRGKRZSA-N 285.347 2.553 30 50 CFEA CC(C)(C)OC(=O)N1CC[C@]2(C=O)CCCC[C@H]12 1535644946 DENLNXDFUBLANB-FZMZJTMJSA-N 253.342 2.755 30 50 CFEA Cn1c(B2OC(C)(C)C(C)(C)O2)cc2cc(F)ccc21 206175734 ZNNVQZGQQOQPQS-UHFFFAOYSA-N 275.132 2.617 30 50 CFEA COc1cc(/C=C2/C(=O)ON=C2c2ccccc2)ccc1O 94461 LRCZCFNUNZQGGK-UKTHLTGXSA-N 295.294 2.745 30 50 CFEA biogenic COc1ccc(-c2c(C)c(C)nc(N)c2C#N)cc1 19805843 SNDLSAFCVCBSEN-UHFFFAOYSA-N 253.305 2.828 30 50 CFEA CCC[C@@H](C)NC(=O)[C@H]1CCCN(CC2(CC#N)CC2)C1 585116997 ONLXKGDMQAMUDU-CABCVRRESA-N 291.439 2.697 30 50 CFEA COc1cc(/C(O)=N/[C@@H](CO)C(C)(C)C)ccc1C 330614257 STNQNZJVCULESO-ZDUSSCGKSA-N 265.353 2.715 30 50 CFEA Cc1cc(C#N)c(NCC2(N(C)C)CCCC2)nc1C 534651120 MUKFJKCYBYGDNE-UHFFFAOYSA-N 272.396 2.856 30 50 CFEA CC(C)c1[nH]ccc1/C(O)=N/C[C@@]1(C)CCOC1 330593589 APIFMCSCHHMJON-CQSZACIVSA-N 250.342 2.869 30 50 CFEA CC(C)COC(=O)N1CCCN(CCC(C)(C)C#N)CC1 131392406 UDFLHHURKZEIKL-UHFFFAOYSA-N 295.427 2.727 30 50 CFEA COc1ccc(/C=C/C(=O)Cc2cc(C)no2)cc1 214076912 DDAQVWSQPAHHMK-ZZXKWVIFSA-N 257.289 2.817 30 50 CFEA CN=C(N[C@H]1C[C@H](OC)C1)N1CCC[C@H]1c1ccsc1 1875278396 VTKNBSVQAYDZBS-IHRRRGAJSA-N 293.436 2.638 30 50 CFEA CC#CC(=O)N[C@@H]1CCC[C@@H]1CCc1ccccc1 1875379456 QOIWVLXIZOWQBT-HZPDHXFCSA-N 255.361 2.927 30 50 CFEA C#C[C@@H](NCc1cccc(OC(F)(F)F)c1)[C@@H]1CCCO1 170084441 KFQKYHKHSOPEJC-KGLIPLIRSA-N 299.292 2.856 30 50 CFEA CN1CCC[C@@H](Nc2cncc(C#N)n2)c2ccccc21 565650975 WOCYNCMWLRMSRK-CQSZACIVSA-N 279.347 2.731 30 50 CFEA Cc1ccc(C(=O)O/N=C(\N)c2cccnc2)c(Cl)c1 18161832 HLQSSMDVOAHPSA-UHFFFAOYSA-N 289.722 2.521 30 50 CFEA Cc1nnc(COc2c(C)cc(C#N)cc2C)s1 271408234 AHTJFZLEZMULHL-UHFFFAOYSA-N 259.334 2.914 30 50 CFEA CC1(C)CC(=O)C2(CC3=C(CC(C)(C)CC3=O)O2)C(=O)C1 436128 GOFLAKVFQSCOEQ-UHFFFAOYSA-N 290.359 2.747 30 50 CFEA C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)o1 449837 VPIRQNZWLUYGDZ-NTCAYCPXSA-N 292.360 2.599 30 50 CFEA O=C(C[n+]1ccc(-c2ccncc2)cc1)c1ccccc1 2565367 XYLUICCZFMIYNF-UHFFFAOYSA-N 275.331 2.919 30 50 CFEA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1ccccc1 4529919 VAWATGWXNSYOHD-BZUAXINKSA-N 276.400 2.978 30 50 CFEA C#CC1(NC(=O)CCc2scnc2C)CCCCC1 65398378 LFRGGLYQFYLXES-UHFFFAOYSA-N 276.405 2.836 30 50 CFEA N#CCOc1ccc(-c2cccc3nsnc23)nc1 1875331244 WHKSXTQGYXZAIJ-UHFFFAOYSA-N 268.301 2.656 30 50 CFEA N#CCc1cccc(N2CCC[C@@H]2[C@H]2CCCOC2)n1 1875266455 UGRAXPMCVDYOCR-DZGCQCFKSA-N 271.364 2.543 30 50 CFEA CCOc1ccc(C#N)cc1N[C@@H]1CCO[C@H](C)C1 272665630 PLLWJFLIPMDKEM-DGCLKSJQSA-N 260.337 2.936 30 50 CFEA CC1(C)OB(c2cccc3ccncc23)OC1(C)C 208395833 MSYQUACKTLEYFY-UHFFFAOYSA-N 255.126 2.534 30 50 CFEA CC(C)Oc1ccc(CCNC(=O)[C@H](C)CC#N)cc1 585100269 OFBGADOKBYQCII-CYBMUJFWSA-N 274.364 2.682 30 50 CFEA N#CCSc1nc(N)c(C#N)c(-c2cccs2)c1C#N 18115604 PFBKXIIHZHVUDJ-UHFFFAOYSA-N 297.368 2.751 30 50 CFEA N#Cc1ccc(C(=O)NC[C@@H]2CC23CCCCC3)cn1 584884255 HNQYNUMXSRDPJP-ZDUSSCGKSA-N 269.348 2.653 30 50 CFEA Cc1cc(N(C)CCC[C@@H]2CCCO2)nc(C)c1C#N 2356151405 HCXJESOGFPBVPZ-CQSZACIVSA-N 273.380 2.966 30 50 CFEA C=CCNC(=O)COc1cc(C)c(Br)c(C)c1 3001735 FGJLECIGGOCBJJ-UHFFFAOYSA-N 298.180 2.747 30 50 CFEA C=CCNC(=O)c1ccccc1NC(=O)C1CCCC1 22614180 GFZCQHWVRPOEBR-UHFFFAOYSA-N 272.348 2.731 30 50 CFEA C=C(C)C[C@@H](C)C(=O)Nc1ccnc2cc(C)nn12 585113964 PDRSADVITLOCTG-SNVBAGLBSA-N 258.325 2.579 30 50 CFEA C[Si](C)(C)C1=C([N+](=O)[O-])[C@H]2C[C@H]1[C@]13O[C@]21[C@H]1C=C[C@H]3C1 169831719 YFBDGYMNGLITOL-HIHRTLBJSA-N 289.407 2.758 30 50 CFEA CC[C@@H](CC(F)(F)F)/N=C(/O)c1nc(C)c(C)nc1O 330882299 ZIIWHLLWHJHPMA-QMMMGPOBSA-N 291.273 2.835 30 50 CFEA N#Cc1ccccc1COc1cccc(-n2cncn2)c1 156855914 QKJZELDHOJHMIN-UHFFFAOYSA-N 276.299 2.718 30 50 CFEA C#CCCC1(CCC(=O)Nc2cnn(C)c2C(F)F)N=N1 952881242 LPUFLUMCUXXNRZ-UHFFFAOYSA-N 295.293 2.652 30 50 CFEA CCOC(=O)C[C@H](B1OC(C)(C)C(C)(C)O1)C(F)(F)F 1772716798 XUXOSHAMJVAULB-QMMMGPOBSA-N 296.094 2.964 30 50 CFEA C=C(C)C[C@H](C)C(=O)N1[C@@H](C)[C@@H](C)N(C)C[C@H]1C 585090155 OPJYJKOGMKSITR-DGAVXFQQSA-N 252.402 2.528 30 50 CFEA Cc1cccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)c1 1430743 IACXFVQPRGIUBC-CQSZACIVSA-N 298.386 2.795 30 50 CFEA C[C@@H](C(=O)O)n1cc(-c2ccc(C(C)(C)C#N)cc2)cn1 534649872 OOGFIBUQJUXNNP-NSHDSACASA-N 283.331 2.997 30 50 CFEA N#Cc1cccc(NC(=O)N[C@H](C(F)F)C2CC2)c1 1875253930 LGMLQGZBWJDBIW-NSHDSACASA-N 265.263 2.723 30 50 CFEA FC(F)(F)c1ccc(Cl)c(N=C2NCCN2)c1 53165707 WIAICRSVMJHHJL-UHFFFAOYSA-N 263.650 2.539 30 50 CFEA investigational Cc1cc(C#N)cc(N2CC[C@@H](c3ccncc3)C2)n1 601186768 ZSRRJYOCQLADNF-OAHLLOKOSA-N 264.332 2.651 30 50 CFEA C=CCN1CCC(N[C@H]2CCCC23CCOCC3)CC1 252508910 XXFOYSODNXMYRU-INIZCTEOSA-N 278.440 2.576 30 50 CFEA C#Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 3997417 SZAZEYMQRJDJBD-UHFFFAOYSA-N 275.304 2.608 30 50 CFEA N#CC1(c2ccccc2)CCN(C(=O)[C@@H]2CC23CC3)CC1 97099583 FETBXVWUCBWYMB-HNNXBMFYSA-N 280.371 2.870 30 50 CFEA C#CCCC1(CCC(=O)N2CCC[C@@](C)(OC)CC2)N=N1 952880365 FYUAEBMXGHCACP-OAHLLOKOSA-N 291.395 2.760 30 50 CFEA COc1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 169746614 GEONBEFVLDNCSM-UHFFFAOYSA-N 268.549 2.648 30 50 CFEA in-vitro C#CCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O 1144002 VVOZNOSJAXKOFQ-JLHYYAGUSA-N 287.340 2.755 30 50 CFEA O=[N+]([O-])c1ccc(N/N=C/c2cccc([N+](=O)[O-])c2)cc1 4390840 DUJGQCJQVKGBBA-NTEUORMPSA-N 286.247 2.949 30 50 CFEA CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(C)=O 4503800 FFZLRSDHIQDPJL-HNNXBMFYSA-N 288.347 2.692 30 50 CFEA Cc1ccc(N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)nc1C#N 253395788 HEKFGEPZUNQQGD-NUEKZKHPSA-N 285.391 2.782 30 50 CFEA CN(C)CCC#CC1(O)c2ccccc2-c2ccccc21 2294619 QIQUIJSLYJGWHS-UHFFFAOYSA-N 277.367 2.858 30 50 CFEA C=CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2371490 YIZNDVUOJFWDDS-UHFFFAOYSA-N 263.278 2.923 30 50 CFEA C=C(C)CN(C)[C@H](C(=O)O)c1cc(C)c(OC)c(C)c1 55392943 IJPFODAUPHXBPD-AWEZNQCLSA-N 277.364 2.946 30 50 CFEA O=c1[nH]c2ccccc2nc1N/N=C/c1ccc(F)cc1 4003212 JGDHUTAIUPLSIU-RQZCQDPDSA-N 282.278 2.508 30 50 CFEA Cn1nccc1CC/C(O)=N/C[C@H]1CCO[C@@H]1C(C)(C)C 328610723 IYNFETGXGYDRKJ-DOMZBBRYSA-N 293.411 2.760 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)CC(F)(F)F 328609169 CKTHAVXBPMTMIH-PSASIEDQSA-N 253.264 2.956 30 50 CFEA CN(CCC[C@@H]1CCCO1)Cc1ccc(C#N)cc1 215041888 XWRIOUJXZWGYCA-MRXNPFEDSA-N 258.365 2.949 30 50 CFEA C=CCN(CCc1ccccc1)C(=O)[C@H]1CC12CCNCC2 236657208 GUSNBWISGINZMC-QGZVFWFLSA-N 298.430 2.633 30 50 CFEA CC[C@H](C)[C@H](N)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 230830773 CSJUWSSZOMBNNX-ZDDLAMDLSA-N 265.206 2.627 30 50 CFEA C#Cc1cnc2ccc(C[C@@H](SC)C(=O)O)cc2c1 263619701 CJOZETYPTGIUIL-CQSZACIVSA-N 271.341 2.575 30 50 CFEA CC#CC(=O)N[C@@H](CCO)c1ccc(-c2ccccc2)cc1 1875377228 WCACCJPMYVEGKY-SFHVURJKSA-N 293.366 2.917 30 50 CFEA C=CCC1(CNC(=O)CCc2cnn(C)c2)CCCC1 408520836 ZWXHXHFRGGYJRN-UHFFFAOYSA-N 275.396 2.605 30 50 CFEA Cc1nc(N2CCC[C@@H]2[C@@H]2CCCOC2)ccc1C#N 563052888 GLGZKRNNGJMGLL-HUUCEWRRSA-N 271.364 2.657 30 50 CFEA CCCC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169964879 KXACZLKHSCCLGY-UHFFFAOYSA-N 274.169 2.969 30 50 CFEA CN(CCC1CCOCC1)Cc1cccc(C#N)c1 177025714 FACOBZXKOXGNBZ-UHFFFAOYSA-N 258.365 2.807 30 50 CFEA O=C(C[n+]1ccccc1)c1ccc(Br)cc1 1664828 IZARNYNIIUXUKY-UHFFFAOYSA-N 277.141 2.620 30 50 CFEA C=CCc1cc(Cl)ccc1OCCNCCOC 3000341 GFEXEOHOIZJKCK-UHFFFAOYSA-N 269.772 2.683 30 50 CFEA COc1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1OC 4879084 LOPXWIWGXWCDLK-CXUHLZMHSA-N 286.335 2.557 30 50 CFEA Fc1ccccc1/C=N/Nc1nccnc1Cl 4947224 IRANUWPIYSYIQN-FRKPEAEDSA-N 250.664 2.715 30 50 CFEA O=[N+]([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 4951675 HCJNPFBSKRVERC-RIYZIHGNSA-N 287.231 2.959 30 50 CFEA C=CCN(Cc1cccc(OC)c1)Cc1[nH]cnc1C 55088302 KJABYMXWPPFPOO-UHFFFAOYSA-N 271.364 2.915 30 50 CFEA C[C@H]1CCCCN1CCN(C)Cc1ccccc1C#N 67697446 SXGMUOXAGUJXGF-HNNXBMFYSA-N 271.408 2.864 30 50 CFEA CC(C)c1cc(-c2cnn(C)c2C2CC2)c(C#N)c(N)n1 67678602 ZPUTVKZZUQHWHL-UHFFFAOYSA-N 281.363 2.937 30 50 CFEA Cc1ccc(C#N)c(N(C)CCOc2ccc(F)cc2)n1 127594836 GOUZCCWPXZBWMP-UHFFFAOYSA-N 285.322 2.916 30 50 CFEA C=CC[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 238092621 WMVSUBZDFSSOAU-CQSZACIVSA-N 255.358 2.572 30 50 CFEA CC1(C)[C@@H]2C[C@@H]1CC1=C2[C@H]2C[C@H]1[C@H]1C(=O)C=CC(=O)[C@@H]21 257356437 IAAHNVXYNAOIFL-VJSXLBNLSA-N 268.356 2.939 30 50 CFEA O=C([C@@H]1CO1)N1CCc2ccccc2[C@H]1Cc1ccccc1 1875373101 UCTCJFKRYNHJQA-MSOLQXFVSA-N 293.366 2.754 30 50 CFEA COc1cccc2cc(B3OC(C)(C)C(C)(C)O3)oc12 202774644 QRDKVKFLDQQDFZ-UHFFFAOYSA-N 274.125 2.741 30 50 CFEA in-vitro COC(=O)c1c(NC(=O)CC#N)sc2c1CCCCC2 6126348 VXTWHMRKEIXPEJ-UHFFFAOYSA-N 292.360 2.656 30 50 CFEA C=CCN(CC=C)C(=O)Nc1ccc2snnc2c1 270117 BNJHLROKGDVCBL-UHFFFAOYSA-N 274.349 2.897 30 50 CFEA N#Cc1csc(CN2CCC(O)(C(F)(F)F)CC2)c1 136855889 ZRQOCAOMIHDPOM-UHFFFAOYSA-N 290.310 2.509 30 50 CFEA N#Cc1ccccc1C(=O)N1CCCC[C@H]1CN1CCCC1 221193138 XBNRWEVEAQKPFS-INIZCTEOSA-N 297.402 2.649 30 50 CFEA C=CCN(CCc1ccccc1)C(=O)[C@@H]1CC12CCNCC2 236657150 GUSNBWISGINZMC-KRWDZBQOSA-N 298.430 2.633 30 50 CFEA N#CC[C@H]1CCCN(C(=O)c2cc3c(o2)CCCC3)C1 1548726926 ACMPQVGMKHURIW-GFCCVEGCSA-N 272.348 2.924 30 50 CFEA C#CCCC1(CCC(=O)N[C@H]2COc3ccc(C)cc32)N=N1 952881570 OBUMSHADPGQOIM-AWEZNQCLSA-N 297.358 2.900 30 50 CFEA C#CC1CCC(NC[C@H](CCO)c2ccccc2)CC1 888098897 QEWPHFSRPYBUAO-NXYGQSRBSA-N 271.404 2.934 30 50 CFEA N#CC1(CNC(=O)c2ccc(Cl)c(O)c2)CCCC1 1418345298 CBYAMVFDJVBAGH-UHFFFAOYSA-N 278.739 2.859 30 50 CFEA Cc1c(NC(=O)c2ccc(F)c(C#N)c2)n[nH]c1C1CC1 1361903066 HGBMGAJIZLHLET-UHFFFAOYSA-N 284.294 2.859 30 50 CFEA COc1ccc2nc(C(=O)N(C)C3(C#N)CCC3)ccc2c1 225519475 BIVSBXFBWQGGDM-UHFFFAOYSA-N 295.342 2.762 30 50 CFEA N#Cc1ccccc1CN1CCCC2(CCOCC2)C1 97547787 ISNKQSSKIUYYDK-UHFFFAOYSA-N 270.376 2.951 30 50 CFEA CC1(C)OB(c2cc3ccc(F)cc3o2)OC1(C)C 205089152 OPKXSJLCXJBUPR-UHFFFAOYSA-N 262.089 2.871 30 50 CFEA CN1CCC[C@@H]1/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1 328609351 CYOUTNJGUAAXOB-BZUAXINKSA-N 288.391 2.815 30 50 CFEA N#Cc1ccc(-n2cc(-c3cncc(Cl)c3)nn2)cc1 2325818205 KJEPPJUDLZMCEG-UHFFFAOYSA-N 281.706 2.854 30 50 CFEA N#Cc1cccc(COC(=O)c2cccc3ncccc23)n1 2325854026 LKWOZOLWFNYESF-UHFFFAOYSA-N 289.294 2.858 30 50 CFEA COc1ccccc1NC(=O)C[n+]1ccc2ccccc2c1 1903593 NZOGBPHKLGPQIL-UHFFFAOYSA-O 293.346 2.775 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)CC[C@@H]1CCOC1 328610742 JAXLEXPBCOGDJR-UMVBOHGHSA-N 269.385 2.821 30 50 CFEA CCOc1ccc(C#N)cc1NC(=O)c1cnn(C)c1CC 604393619 KJWWLQFYCTWWDM-UHFFFAOYSA-N 298.346 2.505 30 50 CFEA CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C=O 38884995 RQBSVZLMTABKNG-ZDUSSCGKSA-N 261.321 2.547 30 50 CFEA in-vitro C#CCOc1ccc(CNC2CCN(CC3CC3)CC2)cc1 172114406 YIKQXKQMGDVASC-UHFFFAOYSA-N 298.430 2.663 30 50 CFEA C=CCNCC[C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1 12190870 MQCFVLQWLHDQSN-HNNXBMFYSA-N 292.810 2.997 30 50 CFEA CC1=CC[C@H]2CN(C(=O)c3cccc(C#N)c3)C[C@H]2C1 216499145 GZLNGALLZCDLCU-JKSUJKDBSA-N 266.344 2.987 30 50 CFEA Cc1nnc(NC[C@H]2CCCC2(F)F)c(C#N)c1C 390918183 FUNYCNIRNWTRBP-SNVBAGLBSA-N 266.295 2.812 30 50 CFEA COc1ccccc1CC(=O)Nc1ccc(CC#N)cc1 37223 KRJLIKVXMAFBAH-UHFFFAOYSA-N 280.327 2.942 30 50 CFEA biogenic CN1C(=NCc2ccoc2)NC[C@@H]1c1ccc(F)cc1 2325863797 WZNCMWFTXYWWHL-CQSZACIVSA-N 273.311 2.551 30 50 CFEA Cc1ccnc([B-](OC(C)C)(OC(C)C)OC(C)C)c1 169935698 DWHMJEMLKKKVAC-UHFFFAOYSA-N 280.197 2.811 30 50 CFEA in-vitro Cc1nnc(C)n1/N=C/c1ccc(Br)s1 5943317 CMBYOQYGMNJEMO-VZUCSPMQSA-N 285.170 2.601 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1Cc1ccc(C)cc1 12003296 SLRXHEFAFAPHSF-MRXNPFEDSA-N 272.392 2.652 30 50 CFEA CC1(C)C(=O)O[C@H](C#Cc2ccccc2)C(C)(C)C1=O 310377 PFPOMUKRYABAGO-CYBMUJFWSA-N 270.328 2.585 30 50 CFEA biogenic Cc1ccc(-n2nnnc2SCCC#N)cc1Cl 2975177 KXELOESPXCELFT-UHFFFAOYSA-N 279.756 2.630 30 50 CFEA C=CCn1c(SC)nc2sc3c(c2c1=O)CCC3 183259 QKXIBLZAZJQENP-UHFFFAOYSA-N 278.402 2.855 30 50 CFEA OC1=N[C@@H](/C(O)=N/[C@H](c2ccccc2)[C@@H]2CCOC2)CC1 329188687 REMJOPWUWSLWKZ-UMVBOHGHSA-N 288.347 2.840 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1Cc1ccccc1Cl 299777024 NFRBKIKEZMXVFP-CQSZACIVSA-N 292.810 2.997 30 50 CFEA C=CCN(C)C(=O)NCc1cc(Cl)ccc1OC 186210485 DEXREGJHWMNZFU-UHFFFAOYSA-N 268.744 2.676 30 50 CFEA CNC(=NCc1cccc(OC2CCCCC2)c1)NC 170626313 KYKOROHTXNZRKX-UHFFFAOYSA-N 275.396 2.693 30 50 CFEA CC1(C)OB(c2ccc(C#N)cc2C(F)(F)F)OC1(C)C 216034873 ARMLMKVJFGMKQM-UHFFFAOYSA-N 297.085 2.876 30 50 CFEA COc1ccc2nc(C(=O)N[C@H](C#N)C(C)(C)C)ccc2c1 225451507 PNPVYQUUSSDBSG-OAHLLOKOSA-N 297.358 2.911 30 50 CFEA CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CC2(CC#N)CC2)C1 585116999 ONLXKGDMQAMUDU-HUUCEWRRSA-N 291.439 2.697 30 50 CFEA C=CCN(Cc1ncccc1C(=O)O)C1CCCC1 65381566 BFNWJIRVKGUFJP-UHFFFAOYSA-N 260.337 2.710 30 50 CFEA CCN(CC)CC#C[C@@H](OC(C)=O)c1ccccc1 2495857 GNHRENZQGXOYNY-MRXNPFEDSA-N 259.349 2.636 30 50 CFEA C[C@@H](CC(C)(C)O)/N=C(/O)c1ccc(F)c(C#N)c1 331356482 RZOBGHSYWBKNBJ-VIFPVBQESA-N 264.300 2.551 30 50 CFEA COc1ccc2c(c1)[C@H](C)CN(c1nccnc1C#N)CC2 372135951 HOTDLAZWOFNPHI-GFCCVEGCSA-N 294.358 2.523 30 50 CFEA N#Cc1ccc(S(=O)(=O)CCc2ccccc2)cc1 170595871 MKOPJJLTQJGIRJ-UHFFFAOYSA-N 271.341 2.575 30 50 CFEA Cc1cc([C@@H]2CCCN(c3nc(C)ccc3C#N)C2)[nH]n1 282247753 MNMXJTGJMBVKQI-CQSZACIVSA-N 281.363 2.677 30 50 CFEA Cc1nn([C@H](C)C(=O)Nc2ccc(F)cc2F)cc1C#N 225544635 SWOOITJEDWSWCO-SECBINFHSA-N 290.273 2.541 30 50 CFEA N#CCCn1c(=S)n(CCC#N)c2ccccc21 2024089 DQQVLZYJOWVXQY-UHFFFAOYSA-N 256.334 3.000 30 50 CFEA COc1ccc(CC(=O)Oc2ccc(C#N)cc2)cc1 5576933 NKYLGZRWZFVQHY-UHFFFAOYSA-N 267.284 2.715 30 50 CFEA COc1ccc(O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 609002 PJCBPJMVROIQAR-GFCCVEGCSA-N 296.326 2.973 30 50 CFEA CC(C)(C)C1=C2OCCOC2=C(C(C)(C)C)C(=O)C1=O 2593543 NEDZCMYEERWKSA-UHFFFAOYSA-N 278.348 2.785 30 50 CFEA C=CCN(CC=C)C(=S)Nc1ccc([N+](=O)[O-])cc1 4773935 QKJPCBGJEFJZFS-UHFFFAOYSA-N 277.349 2.966 30 50 CFEA Cc1ccsc1/C(O)=N/C[C@H]1CCn2ccnc2C1 328627708 MYXVDVKGVSIPQW-NSHDSACASA-N 275.377 2.820 30 50 CFEA N#Cc1cccc(C(=O)NC[C@H]2CCOC3(CCC3)C2)c1 333054647 HHKVVWFQDXOOHK-AWEZNQCLSA-N 284.359 2.637 30 50 CFEA C#CCCC1(CCC(=O)N2CC(Oc3ccccc3)C2)N=N1 952881979 QNMRJBWTEXRXJM-UHFFFAOYSA-N 297.358 2.632 30 50 CFEA Cc1ccccc1C(NC(=O)[C@H]1CO1)c1ccccc1C 1875372892 OYJFJHXIQUBTFQ-MRXNPFEDSA-N 281.355 2.908 30 50 CFEA COC(=O)c1ccc(NC(=O)N[C@H](C)CC#N)cc1Cl 187241533 QULNGDJAQJQSCL-MRVPVSSYSA-N 295.726 2.550 30 50 CFEA CC[C@H](C#N)C(=O)Nc1ccc(OCCOC)c(Cl)c1 585090334 JMIRWOGDQGNINE-SNVBAGLBSA-N 296.754 2.853 30 50 CFEA CCCCOc1ccc(/C=N/NC(=S)NCC)cc1 2521738 XYJHBSVMEKKODO-LFIBNONCSA-N 279.409 2.683 30 50 CFEA Oc1ccc(/C=N\N2CCN(c3ccccc3)CC2)cc1 32620355 XLKCAXYXWZYWBO-JXAWBTAJSA-N 281.359 2.548 30 50 CFEA N#Cc1ccc(NCC2(CCO)CC2)cc1Cl 157231252 RNOICLYSKOLRGI-UHFFFAOYSA-N 250.729 2.786 30 50 CFEA CCOc1cc(C#N)ccc1OC[C@H]1C[N@@]1CC(C)C 1875382078 PVGSBWKTZAVZLG-RDTXWAMCSA-N 274.364 2.676 30 50 CFEA CC1(C)OB(c2ccc(Br)s2)OC1(C)C 169748298 QRTVEZRHUSSDCW-UHFFFAOYSA-N 289.003 2.810 30 50 CFEA in-vitro CCCN(Cc1ccc(C#N)cc1)c1cnccn1 596168300 UGEIQEMSCYIVIS-UHFFFAOYSA-N 252.321 2.765 30 50 CFEA Cc1ccc(S(=O)(=O)/N=C(/O)c2ccccc2)cc1 92231 SGJFNRQZMRIAJP-UHFFFAOYSA-N 275.329 2.689 30 50 CFEA C=CC[C@@]1(CO)CCCN(Cc2ccc(C#N)cc2)C1 91943976 PEWXYNKMMBTIGW-QGZVFWFLSA-N 270.376 2.709 30 50 CFEA C=CCN(CC=C)C(=O)CCCC(=O)N(CC=C)CC=C 4197518 ZGGKBTWXIRXYOO-UHFFFAOYSA-N 290.407 2.558 30 50 CFEA COc1ccc(NC(=O)/C(O)=C/C(=O)c2ccccc2)cc1 100223203 CPGYXQXLKIJUIX-WJDWOHSUSA-N 297.310 2.959 30 50 CFEA CC1(C)OB(c2cc(Cl)cc(Cl)c2N)OC1(C)C 1857777654 PCVROMDXHUKPLZ-UHFFFAOYSA-N 287.983 2.875 30 50 CFEA COc1cccc(OCC(=O)Nc2ccc(CC#N)cc2)c1 112167 KOOAVMBSXSZNNJ-UHFFFAOYSA-N 296.326 2.779 30 50 CFEA N#C[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)C[C@H]1c1ccccc1 293540850 KFGAHHCVWCKSEZ-SIXLDLHFSA-N 265.360 2.918 30 50 CFEA C#CCCC1(CCC(=O)N(C(C)C)C2CCOCC2)N=N1 952881036 DJTGDFCFIZVJPQ-UHFFFAOYSA-N 291.395 2.758 30 50 CFEA CC1(C)COc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 201529185 GFIJLBMYZGKTSY-UHFFFAOYSA-N 274.169 2.656 30 50 CFEA in-vitro CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F 2526228 HXWMNJVBQLBDGW-UHFFFAOYSA-N 274.107 2.721 30 50 CFEA in-vitro O=C1CS/C(=N\N=C\c2c(Cl)cccc2Cl)N1 1042729 RIJKGOXAALFOGI-YIXHJXPBSA-N 288.159 2.546 30 50 CFEA Cc1cccc(/C=N/n2c(S)nnc2-c2ccccn2)c1 5969759 ZSURWDPNKHXGIP-LICLKQGHSA-N 295.371 2.819 30 50 CFEA N#Cc1c(I)ccc(Cl)c1F 15443829 VRQDSPDXKQJULR-UHFFFAOYSA-N 281.455 2.955 30 50 CFEA O=C1/C(=N\O)c2cc([N+](=O)[O-])ccc2-c2ccccc21 5668272 TUEQZRCRIQYWSK-SQFISAMPSA-N 268.228 2.636 30 50 CFEA C(=N/N=C/c1ccc2c(c1)OCO2)\c1ccc2c(c1)OCO2 1602323 MBQLJZPLRISBPE-ZEELXFFVSA-N 296.282 2.597 30 50 CFEA COc1ccc([C@H]2O[C@@]23Cc2ccccc2C3=O)cc1 163792 LZNLWNYATXBVFQ-IAGOWNOFSA-N 266.296 2.944 30 50 CFEA c1ccc(-n2cnnc2-c2ccccc2OC[C@H]2CO2)cc1 1857780036 ALVMOIIJBNPOJF-CQSZACIVSA-N 293.326 2.712 30 50 CFEA N#Cc1cccc(C#N)c1N1CCC[C@@H](c2ccncn2)C1 375520668 FKQJOESCKJTSGN-OAHLLOKOSA-N 289.342 2.604 30 50 CFEA C#Cc1ccc(-c2n[nH]c(COc3ccccc3F)n2)nc1 1875321802 WFFGCXXBOKGDCG-UHFFFAOYSA-N 294.289 2.566 30 50 CFEA CCNC(=O)c1cccc(-c2ccccc2C#N)c1 85477125 DDRYXNJIFJUPQE-UHFFFAOYSA-N 250.301 2.975 30 50 CFEA in-vitro CC1(C)OB(c2cnc3ccccc3c2)OC1(C)C 169743492 ARRJAONCYUAPJR-UHFFFAOYSA-N 255.126 2.534 30 50 CFEA in-vitro C=CCNCC[C@@H]1CCC(=O)N1CCc1ccccc1F 14960156 SHXZYNVGLUKWIC-HNNXBMFYSA-N 290.382 2.525 30 50 CFEA C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](C)C1 15799072 AZBPRTGHNOEGDK-NVXWUHKLSA-N 289.419 2.887 30 50 CFEA Cc1nc([C@H]2CCCCN2Cc2ccc(C#N)cc2F)n[nH]1 408473323 LXDPEYNTJIUTML-OAHLLOKOSA-N 299.353 2.851 30 50 CFEA O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2)N1O 445005 SKFJGBYTAFUYJS-ZDUSSCGKSA-N 285.259 2.551 30 50 CFEA Cc1ccc(S(=O)(=O)OC2CCSCC2)cc1 1703856 GDJWDLUJZROSRN-UHFFFAOYSA-N 272.391 2.596 30 50 CFEA C=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C 4956589 OKJIZKAXRQGFGW-GJZGRUSLSA-N 298.386 2.818 30 50 CFEA Cc1cccc([C@H](C)NC(=O)C2(C#N)CCOCC2)c1C 115285229 JDPLGWONIUSKNR-AWEZNQCLSA-N 286.375 2.801 30 50 CFEA O=C[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 100007462 SOIRQISQWQDGSN-XBXGTLAGSA-N 261.321 2.671 30 50 CFEA O=C(NCc1ccccc1)/C(O)=C/C(=O)c1ccccc1 100330945 GZNLIMCJXYFCTB-WJDWOHSUSA-N 281.311 2.628 30 50 CFEA Cc1nnc(N=C(O)CC2(O)CCCCC2)n1C1CC1 329104576 CRKVRKNKUWIVSI-UHFFFAOYSA-N 278.356 2.595 30 50 CFEA CCn1nc(C)c(N=C(O)NC2(CC)CCOCC2)c1C 330843861 YTZOMDORWPFOAQ-UHFFFAOYSA-N 294.399 2.614 30 50 CFEA C=C(C)[C@@H]1OCC[C@@H]1C/N=C(/O)c1ccc(O)cc1F 331232591 JNPZCYVFRFSIQZ-YGRLFVJLSA-N 279.311 2.817 30 50 CFEA Cc1ccc2c(c1)C(=NO)C(=O)[N+]2CCOc1ccccc1 343516975 SQCNFGICHNTWNR-UHFFFAOYSA-N 296.326 2.564 30 50 CFEA COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100008233 OSDPSOBLGQUCQX-UHFFFAOYSA-N 278.070 2.628 30 50 CFEA in-vitro C=CCC(=O)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 11956595 MTZKYJIKGTYDRQ-LBPRGKRZSA-N 280.318 2.944 30 50 CFEA COc1ccc(C#N)cc1-c1ccc([C@H]2CNC(=O)C2)cc1 1875240318 QUGCXKBEXORQLP-OAHLLOKOSA-N 292.338 2.837 30 50 CFEA CC(C)(C)[C@](C)(C#N)NC(=O)[C@H]1CCCc2cccnc21 252500950 UACHFEBZZDZHAS-GUYCJALGSA-N 285.391 2.946 30 50 CFEA CN1[C@H]2CC[C@H]1CC(=NOC(=O)c1ccc(F)cc1)C2 100537374 HKNFHJJJEKBKHW-KBPBESRZSA-N 276.311 2.595 30 50 CFEA Cc1ccsc1/C(O)=N/C[C@@H]1CCn2ccnc2C1 328627707 MYXVDVKGVSIPQW-LLVKDONJSA-N 275.377 2.820 30 50 CFEA COCCC[C@H]1CCCN(C(=O)c2ccccc2C#N)C1 82108293 DMKIEVGIKLEASQ-CQSZACIVSA-N 286.375 2.837 30 50 CFEA Cc1cc(C(=O)N[C@@]2(C#N)CC2(C)C)cc(C)c1F 291523376 YMCMBCVAKMZHMF-OAHLLOKOSA-N 260.312 2.865 30 50 CFEA C#CCCC1(CCC(=O)Nc2ccc3nccn3c2)N=N1 952883474 TXYAKGWSOIRKRV-UHFFFAOYSA-N 281.319 2.629 30 50 CFEA CC(C)(C)OC(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 196017246 WOLHSJKSGPKMIA-CMDGGOBGSA-N 283.177 2.699 30 50 CFEA Cc1ccc(C(=O)O/N=C(\N)c2cccnc2)cc1Cl 4171360 WQLNNGYAZSACNQ-UHFFFAOYSA-N 289.722 2.521 30 50 CFEA C=CCn1c(S)nnc1-c1ccc2ccccc2n1 2343161 VWTLYHTUFUNEOR-UHFFFAOYSA-N 268.345 2.968 30 50 CFEA C=CCc1cc(Cl)ccc1OCCNCCN(C)C 20418816 ADDMSOUAZXGXIU-UHFFFAOYSA-N 282.815 2.599 30 50 CFEA COc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 219262539 YXDMAINTVKXIEA-UHFFFAOYSA-N 268.549 2.648 30 50 CFEA C#CCN(C(=O)Cc1c[nH]c2cccc(Cl)c12)C1CC1 293383271 DGALAQPWSBQRRR-UHFFFAOYSA-N 286.762 2.988 30 50 CFEA C=C(C)C(C)(C)C(=O)Nc1cc2c(cn1)OCCC2 885748328 WGYUUSLXBYDCRZ-UHFFFAOYSA-N 260.337 2.947 30 50 CFEA CCO[C@@H]1C[C@H](Nc2ccc(C#N)cc2)[C@@]12CCCO2 273457944 FWVZINCSHVRPBG-XHSDSOJGSA-N 272.348 2.697 30 50 CFEA C[C@@H](NCc1cnc(Cl)c(C#N)c1)[C@@H]1CCCOC1 408523967 OYTIEWMPGOJMHT-ZYHUDNBSSA-N 279.771 2.511 30 50 CFEA C=C[C@](C)(CC)C(=O)N1CCC[C@H](N2CCCC2=O)CC1 412835860 GEVNOCOUMNPJIC-WMLDXEAASA-N 292.423 2.592 30 50 CFEA C#Cc1cccc(N(Cc2ccncc2)C(=O)CSC)c1 193552724 PCFIYJOZRXEBBT-UHFFFAOYSA-N 296.395 2.959 30 50 CFEA Cc1c[nH]c2cc(B3OC(C)(C)C(C)(C)O3)ccc12 198427714 ZQHGLGIKGQGLEB-UHFFFAOYSA-N 257.142 2.776 30 50 CFEA in-vitro CC#CC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 764633108 YBVLLVRJOXGHMP-INIZCTEOSA-N 284.746 2.964 30 50 CFEA Cc1ccc(N/C(S)=N\C[C@@H]2CCCO2)cc1 13468483 RTUKVGCQHOOILJ-LBPRGKRZSA-N 250.367 2.872 30 50 CFEA Cc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 169955821 ZIJGXUGXNRWECN-UHFFFAOYSA-N 252.550 2.948 30 50 CFEA COc1cc(Cl)ccc1C(=O)N1CCC[C@H](C#N)C1 79825610 AEKCWWZEHAKHSB-SNVBAGLBSA-N 278.739 2.724 30 50 CFEA C=CC[C@]1(CO)CCCN(c2ccc(Cl)cn2)C1 91745218 RXUDRDCBMFEXTB-AWEZNQCLSA-N 266.772 2.890 30 50 CFEA C=CC[C@@]1(CO)CCCN(Cc2ccc(OC)cc2)C1 92021132 RQDHTFXSGGZUSO-QGZVFWFLSA-N 275.392 2.846 30 50 CFEA C#CC(CC)(CC)NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)O 6699020 RJFHPWBXNBLSSA-UONOGXRCSA-N 291.391 2.742 30 50 CFEA C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 12342931 MEEDCJVVWGYIKY-JYRVWZFOSA-N 290.235 2.932 30 50 CFEA N#Cc1ccc(N2CCSC2)cc1Br 169725794 DLLAWCPODSZZFD-UHFFFAOYSA-N 269.167 2.831 30 50 CFEA CC1(C)OB(c2ccc(C3(C#N)CC3)cc2F)OC1(C)C 169745877 TZNIMHCBELUQIQ-UHFFFAOYSA-N 287.143 2.680 30 50 CFEA CN(C)CCOc1ccc(/C=C\C(=O)c2ccncc2)cc1 4566936 WADVDRQMOTVTLQ-YVMONPNESA-N 296.370 2.918 30 50 CFEA COc1cccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c1 4488874 ADORTGRDBFJGJA-CYBMUJFWSA-N 299.370 2.942 30 50 CFEA CCNc1nc(C)c(/C=N/c2ccccc2)nc1C#N 2029331 AUKWBTKJZLPRKX-VCHYOVAHSA-N 265.320 2.839 30 50 CFEA C=CC1CCN(CC(=O)Nc2cccc(C)c2)CC1 111256877 DIBZLBRAHHXTKA-UHFFFAOYSA-N 258.365 2.832 30 50 CFEA COc1cccc(NC(=O)c2ccc(C#N)cc2F)c1 4856574 IXVVWBUYSFKMFK-UHFFFAOYSA-N 270.263 2.958 30 50 CFEA N#Cc1c(Cl)cccc1I 139903 MSYWVDNGKVMKIS-UHFFFAOYSA-N 263.465 2.816 30 50 CFEA in-vitro N=C(N/N=C/Cc1ccccc1)N/N=C/Cc1ccccc1 25579647 DWAXCCGHAFIVER-IWGRKNQJSA-N 293.374 2.557 30 50 CFEA CC(C)C[C@H](N)B1O[C@H]2C[C@H]3C[C@@H](C3(C)C)[C@]2(C)O1 202979228 YYXCDWMJTBCHJW-MCZMQQNQSA-N 265.206 2.627 30 50 CFEA Cc1nccn1CC[C@@H](C)N1CCC(C)(C#N)CC1 670459157 SGJFNBBVMZILEI-CYBMUJFWSA-N 260.385 2.596 30 50 CFEA O=C([C@@H]1CO1)N(Cc1ccccc1)Cc1ccccc1 1875372406 FRBIXFXSBDQTDI-INIZCTEOSA-N 267.328 2.614 30 50 CFEA CC(C)[C@@H]1N/C(=N/Cc2ccccc2)N[C@H]1C(F)(F)F 1775993217 CWBKUOMPCAIDNX-NWDGAFQWSA-N 285.313 2.691 30 50 CFEA CC(C)[C@@H]1OCC[C@H]1C(=O)N(CCC#N)Cc1ccco1 278110170 QZJJWJZWKDJGIK-CABCVRRESA-N 290.363 2.583 30 50 CFEA Cc1cccc(OC/C(O)=N/[C@@H](CO)C(C)(C)C)c1 328591706 UVJJTLQNKOSREM-ZDUSSCGKSA-N 265.353 2.737 30 50 CFEA C=CCN1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 20160953 ZUUNRJGZVCWPAA-UHFFFAOYSA-N 299.201 2.937 30 50 CFEA N#Cc1cnc(Sc2nnc(-c3ccccc3)o2)cn1 120676665 NESRVQXITVHGBC-UHFFFAOYSA-N 281.300 2.549 30 50 CFEA C=CCNCC[C@@H]1CCC(=O)N1CC1CCCCC1 299768446 ORFWYHYXHBFAIW-HNNXBMFYSA-N 264.413 2.723 30 50 CFEA C[C@]1(C#N)CCCN(Cc2cnc(N3CCCC3)s2)C1 670469188 UEXXFCLRXROBPY-OAHLLOKOSA-N 290.436 2.869 30 50 CFEA N#Cc1cccnc1N[C@H]1CC[C@H](c2nccc(O)n2)CC1 1421289546 ICCLKOUZAPZJMF-AULYBMBSSA-N 295.346 2.587 30 50 CFEA CC(C)O[B-](OC(C)C)(OC(C)C)c1ccc(F)cn1 169935687 AWBULQYPXVSXKC-UHFFFAOYSA-N 284.160 2.642 30 50 CFEA in-vitro Cc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)cc1 4435794 JEHBJGIKFQURKT-BDJLRTHQSA-N 294.358 2.855 30 50 CFEA C[C@H](CC(C)(C)O)/N=C(/O)c1c(F)cc(C#N)cc1F 331356157 ROMHYZWJOMPQFC-MRVPVSSYSA-N 282.290 2.691 30 50 CFEA C=CCOc1ccccc1C(=O)NC(=O)c1ccccc1 2959265 PKSKZOJQCQIDIS-UHFFFAOYSA-N 281.311 2.822 30 50 CFEA C=CCN1C(=O)/C(=C\c2ccc(C=O)cc2)SC1=S 4997160 YYKZHHPAGZSXRI-XYOKQWHBSA-N 289.381 2.886 30 50 CFEA C=CCc1cc(C)ccc1OCCCN1CCOCC1 20117966 WKGHZWNXNKSRTQ-UHFFFAOYSA-N 275.392 2.825 30 50 CFEA COC(=O)[C@H](/N=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)C 1393919 KYQZLOWVKYBWNA-DGGAMASNSA-N 278.308 2.601 30 50 CFEA Cc1cccc(F)c1S(=O)(=O)N(CC#N)C1CCCC1 184812355 CMOFYELEHSVWIJ-UHFFFAOYSA-N 296.367 2.591 30 50 CFEA C=CCOC(=O)CSc1nc2ccc(N)cc2s1 3110189 SWBBCVYDYLULHF-UHFFFAOYSA-N 280.374 2.700 30 50 CFEA O=C(O)c1ccc(/N=C/c2ccc(O)cc2)cc1O 4794452 OWQRYQGZSGEJHL-OVCLIPMQSA-N 257.245 2.547 30 50 CFEA C=CCOc1cc(Cl)c(CNC(C)(C)CO)cc1OC 4840553 DASVKMBBZOYOEU-UHFFFAOYSA-N 299.798 2.774 30 50 CFEA Oc1ccccc1/C=N\NC(=S)Nc1ccccc1 39945257 BKJAPBJJTOJXEZ-GDNBJRDFSA-N 271.345 2.713 30 50 CFEA O=C1OC=C[C@H]1N=C(c1ccccc1)c1ccccc1 147099518 HPNRPGYBMHAOSP-OAHLLOKOSA-N 263.296 2.963 30 50 CFEA CC1(C)OB(c2ccc(OC(F)(F)F)cc2)OC1(C)C 169839969 ZSFXWWRILASQRI-UHFFFAOYSA-N 288.074 2.884 30 50 CFEA in-vitro Cc1ccn(CCN2CCC(C#N)(c3ccccc3)CC2)n1 1506411916 LWIDVYYAIPVGIY-UHFFFAOYSA-N 294.402 2.749 30 50 CFEA CC(=O)Nc1ccc(N/N=C2\CCCCC2=O)cc1 433499 KLSFVSHYXCBBDO-GHRIWEEISA-N 259.309 2.556 30 50 CFEA O=C(O/N=C/c1ccc([N+](=O)[O-])cc1)c1cccs1 439666 LVDUIECUFRCFKA-MDWZMJQESA-N 276.273 2.847 30 50 CFEA Cc1ccsc1CNC(=O)N1CCC[C@H](C#N)C1 426677741 AUYCMFRXQRPGDB-LLVKDONJSA-N 263.366 2.502 30 50 CFEA N#Cc1nc(-c2cccs2)oc1NC[C@H]1CCCO1 468418 AIPQAXWNBFJZCQ-SECBINFHSA-N 275.333 2.866 30 50 CFEA C#CC(CC)(CC)NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)O 6699018 RJFHPWBXNBLSSA-KBPBESRZSA-N 291.391 2.742 30 50 CFEA COc1ccccc1/C=C1C(=N\O)/C2CCN/1CC2 100619620 FZWUCEJPJYFOOI-MBEWDDOBSA-N 258.321 2.592 30 50 CFEA Cc1cc(O)c(/C=N/Nc2cccc(Cl)c2)c(=O)o1 4084690 HQNCBAFTTWGXIT-VIZOYTHASA-N 278.695 2.753 30 50 CFEA C=CCCC(=O)NC[C@@H]1CCN(C2CCCCC2)C1 534589495 OIAVZYFFTRGKTL-AWEZNQCLSA-N 264.413 2.723 30 50 CFEA N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CCC[C@@H]1O 1775985336 SLTMBVPSWLCXHM-OIISXLGYSA-N 270.376 2.686 30 50 CFEA N#CC[C@@]1(O)CCN(Cc2csc(C(F)(F)F)c2)C1 600168466 YGVGIOIZOQVPAS-LLVKDONJSA-N 290.310 2.617 30 50 CFEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)Cc1ccoc1C 281005589 OEYRSDGMWKJDLS-UKRRQHHQSA-N 292.379 2.711 30 50 CFEA Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 204169139 SLRYPKONAASHKM-UHFFFAOYSA-N 252.550 2.948 30 50 CFEA C(#Cc1ccccc1)CNc1ccc(-n2cncn2)cc1 190334944 XJJKRJZBLVDTNP-UHFFFAOYSA-N 274.327 2.731 30 50 CFEA N#CCCS(=O)(=O)c1cc(Cl)ccc1Cl 2469000 AUTOIMOKDNLOEH-UHFFFAOYSA-N 264.133 2.681 30 50 CFEA COC(=O)c1c(NC(=O)CC#N)sc2c1CC[C@H](C)C2 6469144 JECSICNSBPKIRB-QMMMGPOBSA-N 292.360 2.512 30 50 CFEA C#CCOc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 6746824 HXODVFVFRHHDKJ-UHFFFAOYSA-N 276.295 2.823 30 50 CFEA C=CCN(Cc1ccccc1C)Cc1nccn1C 55343846 ZSJVDKKULKRPCU-UHFFFAOYSA-N 255.365 2.917 30 50 CFEA CNc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 170004909 IGXXRUJPZWXGSB-UHFFFAOYSA-N 267.565 2.681 30 50 CFEA C/C(=N\n1nnnc1Nc1ccccc1)c1cccs1 4457701 QBBCEONCFSLJQO-MHWRWJLKSA-N 284.348 2.751 30 50 CFEA C=CCCc1nc(C2CC2)nn1-c1ccncc1C 65458437 CCASVLIUBNYTCB-UHFFFAOYSA-N 254.337 2.967 30 50 CFEA N#Cc1c[nH]c(C(=O)N2CC[C@@H]2c2ccccc2F)c1 374032896 OFIVGQJYZWRPQF-CQSZACIVSA-N 269.279 2.613 30 50 CFEA CC1=CC[C@@]2(CC#N)c3ccccc3C(=O)C(=O)[C@@H]2C1 71778732 UGRGYXKVSTVLAK-WMLDXEAASA-N 265.312 2.960 30 50 CFEA S[C@H]1NCN(C2CCCCC2)CN1c1ccccc1 217039688 BYFLVGJVPACZGZ-HNNXBMFYSA-N 277.437 2.859 30 50 CFEA O=C1C[C@H](c2ccco2)CC2=N[C@@H]3CCCC[C@H]3NC=C12 239030578 CBZHXTFUQISHNY-MRVWCRGKSA-N 284.359 2.965 30 50 CFEA COc1ccc(/C=C/C(=O)c2cn(C(C)C)nn2)cc1F 864087357 SYJQNUOUWTXYOZ-GQCTYLIASA-N 289.310 2.903 30 50 CFEA CC[C@@H](NC(=O)c1ccc(C#N)nc1)c1cccc(C)n1 252510082 ZBCXEOITDUHCRS-CQSZACIVSA-N 280.331 2.538 30 50 CFEA CCOC(=O)c1c(F)cc(Br)cc1C#N 263623302 GILWKKFEZSNXMN-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA Cc1nc(N2CC[C@H](c3ccon3)C2)c(Cl)cc1C#N 1775989205 GZGDBFGQFGOXJT-JTQLQIEISA-N 288.738 2.897 30 50 CFEA Cc1ccc(N2CC[C@H](CNc3ccccn3)C2)nc1C#N 302663669 PMDBKJQQAHUXJL-CQSZACIVSA-N 293.374 2.595 30 50 CFEA Cc1c(CN(C)[C@H](C)c2ccncc2)cc(C#N)n1C 195561901 UMVRUUJIYIOKMN-GFCCVEGCSA-N 268.364 2.793 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 585127867 LHGWBFZJFHJBGY-OCCSQVGLSA-N 288.395 2.531 30 50 CFEA N#Cc1ccc(N[C@H]2CCN(c3ncccc3Cl)C2)cn1 160828202 DBEQTCFZJFVDCP-ZDUSSCGKSA-N 299.765 2.692 30 50 CFEA C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1O 253207176 XNVQKGRINDCFIQ-TVQRCGJNSA-N 284.281 2.784 30 50 CFEA N#Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 4828926 DJZNQOQAHFQYPQ-UHFFFAOYSA-N 268.228 2.686 30 50 CFEA NC(=S)N/N=C/CCn1c(=S)sc2ccccc21 4948736 JTONUEIHDYZMOY-AWNIVKPZSA-N 296.446 2.641 30 50 CFEA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cccc(C#N)c1 67872396 UEAYATUMVMIAFC-HNNXBMFYSA-N 296.374 2.599 30 50 CFEA CC[C@]1(c2ccc(Br)cc2)O[C@@H]1C#N 306733688 UBMHTQPCFGWJMU-GHMZBOCLSA-N 252.111 2.977 30 50 CFEA C(=N\n1cnnc1)\c1ccc(OCc2ccccc2)cc1 33294809 WWOGBFTYJYMQHT-GRSHGNNSSA-N 278.315 2.739 30 50 CFEA CC(C)(C)[C@H]1OCC[C@@H]1C/N=C(/O)[C@H]1CCC(O)=NC1 328608988 BVOZBPVMVINBFA-MDZLAQPJSA-N 282.384 2.761 30 50 CFEA O/C(=N/CC1(C(F)(F)F)CC1)[C@H]1CCc2n[nH]cc2C1 329100743 DVHVVNNVVSKLAR-QMMMGPOBSA-N 287.285 2.814 30 50 CFEA Cc1csc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)c1C#N 333816514 IBAMGBBFRXZEDK-HOSYDEDBSA-N 276.361 2.824 30 50 CFEA Cc1cccc(Cn2cc(B3OC(C)(C)C(C)(C)O3)cn2)c1 217837736 HTJCZSQAANUZFD-UHFFFAOYSA-N 298.195 2.539 30 50 CFEA C#CCCC1(CCC(=O)N[C@@H]2CCOC3(CCC3)C2)N=N1 952882079 LIFLLNKOMHRYBL-CYBMUJFWSA-N 289.379 2.560 30 50 CFEA CC(C)n1cnc2ccc(CNc3ccc(C#N)nn3)cc21 952992030 HZPAWBACEGUGMX-UHFFFAOYSA-N 292.346 2.891 30 50 CFEA CC[C@@H]1C[C@H](CC(=O)N(CC#N)c2ccccn2)CCO1 585125279 MKUZLKVRWUFHHU-ZIAGYGMSSA-N 287.363 2.533 30 50 CFEA C=C(C)C[C@@H](C)C(=O)NCCc1cccc(OCC)n1 584908649 AMKOLMZZKSFNFT-CYBMUJFWSA-N 276.380 2.741 30 50 CFEA Cn1c2ccc(Cl)cc2c2oc(C#N)cc(=O)c21 39256300 GFGKVCXXRHFOSH-UHFFFAOYSA-N 258.664 2.810 30 50 CFEA Cc1cc(C)n2c(SCc3ccc(C#N)cc3)nnc2n1 98955 XSNIGIXZSUOHKO-UHFFFAOYSA-N 295.371 2.905 30 50 CFEA Cc1ccc(N/C(N)=N/Cc2cccnc2)cc1C 252549754 RUHHAHUILNEZOJ-UHFFFAOYSA-N 254.337 2.625 30 50 CFEA COc1cc(OCC[C@H]2CCCCO2)ccc1C#N 331238913 WCFVXVFKWHFDDM-CYBMUJFWSA-N 261.321 2.905 30 50 CFEA CC(C)(C)OC(=O)[C@H](C#N)c1ccc(Cl)cn1 96028524 MZNHXBAQIVZMHE-SECBINFHSA-N 252.701 2.684 30 50 CFEA C/C(=N\NC(=S)NNc1ccccc1)c1ccccc1 670418704 RJIOJPQBPXINER-FOWTUZBSSA-N 284.388 2.902 30 50 CFEA C#Cc1ccc(OCCCCCC[C@]2(C(=O)O)CO2)cc1 1875387787 XAVMTKQEGXBTOF-QGZVFWFLSA-N 288.343 2.851 30 50 CFEA N#Cc1cnn(-c2nc3c(Cl)cccc3s2)c1N 44904010 JRXMXYJXHOAASU-UHFFFAOYSA-N 275.724 2.589 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C(=O)N(CCC#N)Cc1ccco1 278110190 QZJJWJZWKDJGIK-LSDHHAIUSA-N 290.363 2.583 30 50 CFEA CCCCCCCC(=O)Nc1nc(CCO)cs1 408517430 HTFJSHYRRPCGCF-UHFFFAOYSA-N 270.398 2.977 30 50 CFEA Cc1nc2ccccc2n1/N=C/c1ccc([N+](=O)[O-])o1 348773 XPOFMSUXNDOXAB-RIYZIHGNSA-N 270.248 2.728 30 50 CFEA Cc1cc(C)c(C#N)c(-c2cccnc2N(C)C)n1 1875248708 IVILRMTVZVQZGE-UHFFFAOYSA-N 252.321 2.698 30 50 CFEA O=C(/C=C/c1ccccc1O)c1cc(O)ccc1O 4252711 NXTSNFDLQUTBRV-FNORWQNLSA-N 256.257 2.700 30 50 CFEA biogenic,in-vitro Cc1cc(C)n(-c2cc(Oc3ccc(C#N)cc3)ncn2)n1 16310175 WJCFQSJDWHGHNA-UHFFFAOYSA-N 291.314 2.943 30 50 CFEA C=C(C)CSc1nnc(-c2ccccc2)c(O)n1 16621987 YOXWEIKZJPVZCC-UHFFFAOYSA-N 259.334 2.912 30 50 CFEA C/C(=C\C(=O)c1cccnc1)Nc1ccc(C(=O)O)cc1 19954970 QFKZTEIHBYVZQC-PKNBQFBNSA-N 282.299 2.978 30 50 CFEA C=CCC1(C(=O)NCCc2cccnc2)CCCC1 408519419 DFJYHPWYRMIZFF-UHFFFAOYSA-N 258.365 2.877 30 50 CFEA Cc1cc(C)c(C#N)c(N[C@H](C)c2nnc3n2CCCC3)n1 368108141 IRCOUKXVEQTHSD-GFCCVEGCSA-N 296.378 2.671 30 50 CFEA CC(C)(C)C[C@H](CO)NCc1cc(C#N)cs1 305222417 ULNMBMZYTARGFR-LLVKDONJSA-N 252.383 2.506 30 50 CFEA C=Cn1cc[n+](CC(=O)c2ccc(Br)cc2)c1 2937274 IPKOQJAKWPIBJD-UHFFFAOYSA-N 292.156 2.522 30 50 CFEA Cc1ccc(S(=O)(=O)N/N=C2/CCCC[C@H]2C)cc1 31689722 KZVGAHHUQAEXAS-DKASORFFSA-N 280.393 2.839 30 50 CFEA C[C@H](c1ccc(-c2nccnc2C#N)cc1)N(C)C 426490438 YDSAWQGBPRRNAH-LLVKDONJSA-N 252.321 2.638 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1Cc1cccc(Cl)c1 299757823 JYROACAVOZWQNV-OAHLLOKOSA-N 292.810 2.997 30 50 CFEA CCn1cc(CN(C)C[C@@H]2Cc3ccccc3O2)cc1C#N 670470090 VFXAYDVVSDDDRX-KRWDZBQOSA-N 295.386 2.815 30 50 CFEA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cccc(C#N)c1)C2 1565516421 CBICAAXPFUWHHE-RDJZCZTQSA-N 297.402 2.505 30 50 CFEA N#Cc1cccc(C(=O)N2CCOCC23CCCCC3)c1 560466890 AHSNRNXEGVMTAO-UHFFFAOYSA-N 284.359 2.734 30 50 CFEA Cc1cc(N2CC(c3ccncc3)C2)nc(C)c1C#N 2356134602 UICSDESWLCKGMK-UHFFFAOYSA-N 264.332 2.569 30 50 CFEA C=CCC1(CC=C)CCCCN1C(=O)CCC(=O)OC 55211675 WOIDZIJPGKLPAZ-UHFFFAOYSA-N 279.380 2.843 30 50 CFEA Cc1cccc(Cl)c1S(=O)(=O)N[C@@]1(C#N)CC1(C)C 332011172 TVSYUDDTRQLBPJ-CYBMUJFWSA-N 298.795 2.619 30 50 CFEA COc1ccc(/C=C/C(=O)c2ccncc2)c(OC)c1 5210527 MXWUWTHBHFQMEO-GQCTYLIASA-N 269.300 2.995 30 50 CFEA CCSC(=S)S[C@@](C)(C#N)CCC(=O)O 115962583 KEWSCDNULKOKTG-SECBINFHSA-N 263.409 2.905 30 50 CFEA in-vitro C=CCn1cc(Cc2cn(CC=C)nc2C)c(C)n1 2477884 PQKSEGJYALBLNC-UHFFFAOYSA-N 256.353 2.659 30 50 CFEA Oc1nc(N/N=C/c2cccs2)nnc1-c1ccccc1 3945112 XVRGSFYOKNWMKC-OQLLNIDSSA-N 297.343 2.752 30 50 CFEA O=C1/C(=C\c2ccc([N+](=O)[O-])o2)Nc2ccccc21 101125215 DSQCUFMVOAPVMH-YRNVUSSQSA-N 256.217 2.837 30 50 CFEA O=C(/N=C1/SCC(=O)N1c1ccccc1)c1ccccc1 100432903 UBXWNTMAWNECPE-WUKNDPDISA-N 296.351 2.963 30 50 CFEA Cc1cc(C(O)=Nc2cnn([C@@H](C)C3CC3)c2)cnn1 329832465 KWNUPZFGBPJUEK-JTQLQIEISA-N 271.324 2.589 30 50 CFEA CC(C)(C)Sc1nc(C#N)c(C#N)nc1Cl 71780883 LNSIDTHMLVTAAD-UHFFFAOYSA-N 252.730 2.764 30 50 CFEA C=C(C)CN/C(N)=N/[C@H]1C[C@H](c2cccc(F)c2)C1 262856881 YGFFLZUAWUWRQN-MQMHXKEQSA-N 261.344 2.552 30 50 CFEA C=CCc1cc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3N)ccc1OC 426677432 IJPNNIUNHIAZHA-VQFNDLOPSA-N 286.419 2.593 30 50 CFEA CC(C)CCC(=O)N[C@@]1(C#N)CCc2ccccc2C1 183935002 WRXTUHUWCCMBDX-KRWDZBQOSA-N 270.376 2.990 30 50 CFEA C(=N/Nc1nncc(-c2ccccc2)n1)\c1ccco1 5016904 JCIGIXATEURLHC-OQLLNIDSSA-N 265.276 2.578 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1CNCc1cccc(C#N)c1 267284674 PVHYAGHNOVVMNG-HZPDHXFCSA-N 258.365 2.709 30 50 CFEA CSc1nc(N)nc(S[C@H]2C=CCCC2)c1C#N 27790 OYWVPSXAHQCPMB-QMMMGPOBSA-N 278.406 2.853 30 50 CFEA Cc1c(C(=O)OCc2ccccc2)sc(N)c1C#N 610159 MDUGVNFSCIHWHM-UHFFFAOYSA-N 272.329 2.867 30 50 CFEA CC[C@H](C)N(C(=O)c1cc(C#N)cn1C)[C@@H](C)CC 119593702 IEJAKQWYAHQCGJ-RYUDHWBXSA-N 261.369 2.936 30 50 CFEA Cc1ccc(-c2cc(-c3cnn(C)c3)c(C#N)c(N)n2)cc1 67677393 GXRMVJJTNGXJJX-UHFFFAOYSA-N 289.342 2.911 30 50 CFEA C=C(C)CN(CC)C(=O)c1cn(C)c2ccc(C)cc2c1=O 65408457 NYBPNXHDJPRDPM-UHFFFAOYSA-N 298.386 2.885 30 50 CFEA OC(=Nc1ncc(C(F)(F)F)[nH]1)[C@@H]1CCCOCC1 328721411 RDPUNNDZBBVTPN-SSDOTTSWSA-N 277.246 2.833 30 50 CFEA N#Cc1ccc(NC[C@H]2CCCC(=O)N2)cc1C(F)(F)F 618981384 HXAPLQNJCAYPDR-LLVKDONJSA-N 297.280 2.658 30 50 CFEA Cc1ccc(C(=O)O/N=C(\N)c2ccncc2)c(Cl)c1 4318706 QJBCERXNUFUXNW-UHFFFAOYSA-N 289.722 2.521 30 50 CFEA CC(=O)O[C@](C)(C#CCN1CCCC1)c1ccccc1 16671197 XMVLSPPHZRVYNO-QGZVFWFLSA-N 271.360 2.564 30 50 CFEA Cc1cc(C)n(N=Cc2ccc3c(c2)CCC3)c(=O)c1C#N 16980871 MFAGYBIOWGBCFV-UHFFFAOYSA-N 291.354 2.708 30 50 CFEA CC(=O)/C(=N\O)C(=O)N(C1CCCCC1)C1CCCCC1 5377919 ZFUSRSJRBPIZHJ-BMRADRMJSA-N 294.395 2.900 30 50 CFEA C[C@H]1c2ccccc2CCN1c1ccc(C#N)c(N)n1 571656561 CZKWAFWMVBCGIV-NSHDSACASA-N 264.332 2.659 30 50 CFEA CC(=O)OC1(C#CCN2CCCCC2)CCCCC1 381209 FPVCCWHEAHLKQT-UHFFFAOYSA-N 263.381 2.742 30 50 CFEA C/C(=C\c1cccnc1)C(=O)c1c(C)cc(C)[nH]c1=O 4955735 YLRJVFATEALYGN-DHZHZOJOSA-N 268.316 2.673 30 50 CFEA C=CCOc1ccc(C(=O)NCc2ccccn2)cc1 4973695 DLWKVQVQUMKYJQ-UHFFFAOYSA-N 268.316 2.576 30 50 CFEA O/C(=N/[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCCCS1 329330891 MALGWULEZOYDLW-BXKDBHETSA-N 265.382 2.509 30 50 CFEA C=C[C@@H]1OC[C@@]2(COC(C)=O)[C@@H](C)C=C(C)[C@H]1[C@H]2C 518164 JBTQEJHRGJHHHA-URLPEUOOSA-N 264.365 2.969 30 50 CFEA biogenic Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4C=C[C@@H]4[C@H]23)cc1 248011298 IXJFKIGVJVLUOZ-KHMAMNHCSA-N 276.357 2.521 30 50 CFEA CC#CC(=O)N[C@H](CC1CC1)c1ccc(Cl)cn1 1875379795 WZADIFWIPGJGSZ-CYBMUJFWSA-N 262.740 2.716 30 50 CFEA C=CCCC[C@H](NC[C@@H](C)CCO)[C@@]1(C)CCCO1 952882417 QREGVMKSKGFABV-HRCADAONSA-N 269.429 2.889 30 50 CFEA CC(C)(C)OC(=O)N1CCOc2c(C#N)cccc2C1 95803954 VRZVHAYYPYJLAY-UHFFFAOYSA-N 274.320 2.688 30 50 CFEA in-vitro CC12CC(CN1C(=O)c1ccc(C3(C#N)CC3)cc1)C2 598569480 AEKQMXFBVBJAMY-UHFFFAOYSA-N 266.344 2.866 30 50 CFEA Fc1ccccc1/C=N/n1c(S)nnc1-c1cccnc1 1246254 UIQZEIHZCVHOLM-RQZCQDPDSA-N 299.334 2.650 30 50 CFEA O=C(C[n+]1ccc(-c2ccc(O)cc2)nc1)c1ccccc1 5899569 NSRMXPABQZMYET-UHFFFAOYSA-O 291.330 2.625 30 50 CFEA C=CCc1cc(CN2C[C@@H](C)O[C@H](C)C2)c(O)c(OC)c1 31638458 XLPOFFREQSDPEX-CHWSQXEVSA-N 291.391 2.739 30 50 CFEA C[C@]1(Br)C[C@H]1C(=O)NCC1(C#N)CCCCC1 862209362 SVKYZKSYVFGGML-JQWIXIFHSA-N 299.212 2.750 30 50 CFEA C=C(C)CN1C(=O)C(=O)c2cc(Br)ccc21 2099787 RUGKDKWVOXRCGI-UHFFFAOYSA-N 280.121 2.555 30 50 CFEA biogenic C=CCCc1nc(C2CC2)nn1-c1ccc2c(c1)OCO2 65410275 OLCCFYBZUFSGPP-UHFFFAOYSA-N 283.331 2.992 30 50 CFEA CN(C)c1ccc(CCC(=O)N2CCC[C@@](C)(C#N)C2)cc1 221421074 WOZWYIPBHKQWFT-SFHVURJKSA-N 299.418 2.837 30 50 CFEA C#CCCC1(CCC(=O)NC[C@@H]2CCC(F)(F)C2)N=N1 952882470 MNJHMTNRYSDTAB-LLVKDONJSA-N 283.322 2.894 30 50 CFEA C[C@@H](C#N)CN[C@@H]1CC[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 1365567328 CLAQMLLVLQHHSJ-XDQVBPFNSA-N 293.411 2.524 30 50 CFEA C=CCC1(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CCC1 170611114 JVPQROAZKXGOAP-HUUCEWRRSA-N 278.440 2.969 30 50 CFEA COC[C@H](CNc1cc(C(F)(F)F)ccc1C#N)OC 1616034699 RWGRPGBJNGBHIY-NSHDSACASA-N 288.269 2.650 30 50 CFEA COc1ccc(/C(N)=N/OC(=O)c2ccc(C)c(C)c2)cc1 18173008 WTIXROGGBIWWBF-UHFFFAOYSA-N 298.342 2.789 30 50 CFEA CC(=O)Nc1cccc(CNc2cc(C#N)ccn2)c1 339968681 GRAGLIQQHBZBTP-UHFFFAOYSA-N 266.304 2.524 30 50 CFEA CC1=C(c2cc(-c3ccc(F)cn3)n(C)n2)CCC1=O 2325802207 PWSJHNPCDDKLCK-UHFFFAOYSA-N 271.295 2.758 30 50 CFEA O=[N+]([O-])c1cccc(/C=N/c2ccc([N+](=O)[O-])cc2O)c1 100456092 LCZCCUBBAXCVRY-RIYZIHGNSA-N 287.231 2.959 30 50 CFEA CN(CC(=O)[C@H](C#N)c1ccccc1)Cc1ccccc1 54649316 YNOGELFAGWINTN-QGZVFWFLSA-N 278.355 2.995 30 50 CFEA CC1(C)CC(=O)C(=CNCCc2ccccc2F)C(=O)C1 100439206 PYWLTMALQFLHHV-UHFFFAOYSA-N 289.350 2.800 30 50 CFEA Oc1ccccc1C=NN1CCN(Cc2ccccc2)CC1 240517156 NVQRMPQPJSCBRR-UHFFFAOYSA-N 295.386 2.544 30 50 CFEA C=C(C)C[C@H](C)C(=O)Nc1cc(-n2ccnn2)ccc1F 585114348 GLDHAZNNYAOXSD-NSHDSACASA-N 288.326 2.947 30 50 CFEA C=CC[C@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 595657745 BPUXNSPZUCGNBV-HNNXBMFYSA-N 283.375 2.785 30 50 CFEA C=C[C@@H](c1ccccc1)c1nc(CC(=O)NCCCC)no1 1615614691 QQZWIGHDFQIAEH-AWEZNQCLSA-N 299.374 2.846 30 50 CFEA N#CC1(C(=O)N2CC[C@@H]2c2ccccc2F)CCC1 374030210 DWCBDCKLVHIZIK-CYBMUJFWSA-N 258.296 2.793 30 50 CFEA CCCc1nnc(/N=C(\O)CN2CCC[C@H](C)C2)s1 20028130 FZMNNNYQIZFKRX-JTQLQIEISA-N 282.413 2.811 30 50 CFEA Cc1cc(C)c(N=C(O)COCCc2cnn[nH]2)c(C)c1 328593888 WRFDGRYUDZKTHZ-UHFFFAOYSA-N 288.351 2.577 30 50 CFEA COC(=O)[C@H]1O[C@@]1(c1ccccc1)c1ccc(F)cc1 334162634 DFMDOEZJDBHGBU-ZBFHGGJFSA-N 272.275 2.641 30 50 CFEA N#Cc1ccsc1C(=O)Oc1ccc2c(c1)NC(=O)CC2 186693902 FTLIDDQUWUAREM-UHFFFAOYSA-N 298.323 2.724 30 50 CFEA C#CC(C)(C)N(C)C(=O)c1ccc(NC(=O)C2CC2)cc1 170617649 IVVMEABUGSANDK-UHFFFAOYSA-N 284.359 2.519 30 50 CFEA CCc1nc(C(C)(C)/N=C(/O)c2ncoc2C2CC2)no1 329054491 AOOCGRMJOLORPY-UHFFFAOYSA-N 290.323 2.737 30 50 CFEA C=C1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)C1 1671027601 ODOUTZQLXNAAEU-ZDUSSCGKSA-N 291.782 2.500 30 50 CFEA N#C[C@@H]1CCCN(C(=O)c2cccc(OC(F)F)c2)C1 79825816 WDTGXSCDBJAMFF-JTQLQIEISA-N 280.274 2.664 30 50 CFEA C[C@](O)(C#C[C@](C)(O)c1ccccc1)c1ccccc1 1235088 HJVVXZWQDRNQEH-ROUUACIJSA-N 266.340 2.805 30 50 CFEA C=CCc1ccccc1OCCN(C)C(=O)C(C)C 55098936 LQIUHLDRMWIHQV-UHFFFAOYSA-N 261.365 2.908 30 50 CFEA Cc1nc(-c2ccccc2)[nH]c1C(=O)NC1(C#N)CCC1 604534978 UOWGTFAZSIAOJN-UHFFFAOYSA-N 280.331 2.561 30 50 CFEA CC1(C)CC(=O)C([N+](=O)[O-])=C(Nc2ccccc2)C1 100347394 LQMJHALHNKMARW-UHFFFAOYSA-N 260.293 2.976 30 50 CFEA C[C@]1(/N=C(/O)Cc2cncs2)CCO[C@H]1C1CC1 329957055 LPSIXCZZLLTLTF-STQMWFEESA-N 266.366 2.600 30 50 CFEA CC(C)(C)[C@@H]1CN(C(=O)c2cscc2C#N)CCO1 334441162 ZDPQLEKMVFCVDX-LBPRGKRZSA-N 278.377 2.507 30 50 CFEA CC1(C)OB(c2ccc(OCC3CC3)cc2)OC1(C)C 211234665 NEQVQJCPHVVIFO-UHFFFAOYSA-N 274.169 2.775 30 50 CFEA C#CCCC1(CCC(=O)N[C@H]2[C@@H]3c4ccccc4C[C@H]32)N=N1 952882521 UZJBIRXQURDHKT-DJIMGWMZSA-N 293.370 2.797 30 50 CFEA COc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1 169747197 DVGWZOHNHYZTKK-UHFFFAOYSA-N 285.152 2.543 30 50 CFEA in-vitro C#CCCCC(=O)Nc1ccc(-c2cncnc2)cc1 408514623 ACUNKHISSOZKRU-UHFFFAOYSA-N 265.316 2.886 30 50 CFEA C=CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169955697 VILPUDKKKJEDSO-UHFFFAOYSA-N 260.142 2.551 30 50 CFEA in-vitro N#Cc1cccc(NC(=S)NC(=O)c2cccs2)c1 358853 FLECGNNIRIUVKH-UHFFFAOYSA-N 287.369 2.747 30 50 CFEA CC1(C)OB(c2cc(F)cc(OC(F)F)c2)OC1(C)C 211824922 CBYJISDRXWPTNP-UHFFFAOYSA-N 288.074 2.726 30 50 CFEA C=CCOc1cc(OC)cc(Br)c1CO 96024928 ZHJBJLDJODEFIF-UHFFFAOYSA-N 273.126 2.515 30 50 CFEA CCn1cc(CN(C)CCC2(O)CCCC2)cc1C#N 670473473 GTWNXMHIDYIBIP-UHFFFAOYSA-N 275.396 2.507 30 50 CFEA COC(=O)[C@H]1CCN(c2cc(Cl)ccc2C#N)C[C@@H]1C 276901684 MITRNZCWZUTMEF-GWCFXTLKSA-N 292.766 2.847 30 50 CFEA C#CCC1(C(=O)NCC2(c3ccccc3)CC2)CCOCC1 585088736 KWDZBUFOMOIAIX-UHFFFAOYSA-N 297.398 2.655 30 50 CFEA N#Cc1ccc(NCC(=O)N2CCC[C@H]2C(F)(F)F)cc1 585128210 VUPWACLAQCYVLM-LBPRGKRZSA-N 297.280 2.523 30 50 CFEA Cc1ccnc(N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1C#N 225647765 YXFOKOZSGUCRRV-GOEBONIOSA-N 297.333 2.713 30 50 CFEA Cc1c(CN[C@H]2CCOc3ccccc32)cc(C#N)n1C 130675348 RIHOPTLWMQDHGL-INIZCTEOSA-N 281.359 2.819 30 50 CFEA Cc1cc(C#N)nc(N[C@@H](C)c2ccc(C#N)cc2)n1 231939637 VCWUHUPWQYBPDA-NSHDSACASA-N 263.304 2.701 30 50 CFEA C=CC[C@H]1C=CC[C@H](CC=C)N1C(=O)CCC(=O)O 296324 WBXPWEDSQDDQSJ-STQMWFEESA-N 263.337 2.529 30 50 CFEA N#Cc1cccnc1-c1ccc(C(=O)N2CCCC2)cc1 32558267 DPZJXDVBNNIPLK-UHFFFAOYSA-N 277.327 2.856 30 50 CFEA C=CC(=O)N(Cc1ccc2c(c1)CCO2)[C@H]1CCC[C@@H]1C#N 1875388839 SDPHWGHANWEUHM-CVEARBPZSA-N 296.370 2.828 30 50 CFEA COc1ccc(CN(CC#N)[C@H](C)C2CC2)c(OC)c1 253392580 NYBNNTHEDMMCJS-GFCCVEGCSA-N 274.364 2.828 30 50 CFEA C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCO3)c2C#N)C1 87518 RMDSCSYCOGQKCX-JOYOIKCWSA-N 290.388 2.862 30 50 CFEA C=CCN(Cc1cccnc1)Cc1cn(CC=C)nc1C 55281183 WNBKQUXORIEVFX-UHFFFAOYSA-N 282.391 2.961 30 50 CFEA C=CCn1cc(CN(CC2CC2)C[C@H]2CCCO2)c(C)n1 55109298 BPFMXYJPNGOZLQ-QGZVFWFLSA-N 289.423 2.769 30 50 CFEA Cc1nnc(Sc2ccc(O)cc2)c(C#N)c1C 124232387 HGISAPVXAYYTIU-UHFFFAOYSA-N 257.318 2.822 30 50 CFEA Cc1nsc(N2CC[C@H](C(C)(C)C)[C@H](O)C2)c1C#N 286660076 YGLSOUNNWFOGNC-NWDGAFQWSA-N 279.409 2.557 30 50 CFEA C#C[C@H](NCc1cccc(OC(F)(F)F)c1)[C@H]1CCCO1 170084444 KFQKYHKHSOPEJC-UONOGXRCSA-N 299.292 2.856 30 50 CFEA C#Cc1ccc(COC(=O)CCc2c(C)nn(C)c2C)cc1 585079572 AYVBZHOROHOYKV-UHFFFAOYSA-N 296.370 2.694 30 50 CFEA Cc1cc(CN(C)Cc2ccccc2C#N)ccn1 670467806 OIEWAKMEIONDBB-UHFFFAOYSA-N 251.333 2.894 30 50 CFEA CN(C)Cc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 169956054 XAQUOJIGDHKRGN-UHFFFAOYSA-N 295.619 2.701 30 50 CFEA CC(C)c1nc(O)ccc1C(=O)NCc1ccc(C#N)cc1 2100536858 BRTQCIDMEIBBSI-UHFFFAOYSA-N 295.342 2.712 30 50 CFEA O=C1C=C(Nc2ccc(F)c([N+](=O)[O-])c2)CCC1 1445988 KTIDOIDPLLAMDX-UHFFFAOYSA-N 250.229 2.783 30 50 CFEA CC[C@H](Oc1ccccc1)C(=O)O/N=C(\N)c1ccccc1 4978430 XJBTUCSJEVXGHN-HNNXBMFYSA-N 298.342 2.708 30 50 CFEA NC(=S)N/C(=N/c1ccccc1)c1ccccc1 6615834 YEDWMNOEZVHVMT-UHFFFAOYSA-N 255.346 2.598 30 50 CFEA CC1(C)CN(/C(O)=N/C(C2CCC2)C2CCC2)CC[C@H]1O 329303872 ODPMWWNVKYACFY-CQSZACIVSA-N 294.439 2.962 30 50 CFEA CCCCCCC[C@@H](C(=O)OCC)N1CCOCC1 97973041 VABJQXOWMUGREP-AWEZNQCLSA-N 271.401 2.611 30 50 CFEA CC1(CNc2snc(Cl)c2C#N)CCOCC1 267776463 BCIFZPAYGTWIEZ-UHFFFAOYSA-N 271.773 2.897 30 50 CFEA CC(F)(F)CC(=O)NC1(c2cccc(C#N)c2)CC1 277782921 ZGUMQYMXXHPGRJ-UHFFFAOYSA-N 264.275 2.709 30 50 CFEA C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCc2cccnc21 585122573 BKYUMSJIENDSDC-TZMCWYRMSA-N 258.365 2.830 30 50 CFEA C=CCNCC[C@H]1CCC(=O)N1Cc1ccc(C)c(F)c1 14881025 HGVRPUMLRGTNJB-OAHLLOKOSA-N 290.382 2.791 30 50 CFEA C=CCNC(=O)COc1cc(Cl)ccc1Cl 16580733 VGSKTHCJFZBXLU-UHFFFAOYSA-N 260.120 2.674 30 50 CFEA COc1ccc(/C(=N/O)c2ccc(N)cc2)c(OC)c1 5335190 ZZKZLDNWDZVLQS-BMRADRMJSA-N 272.304 2.513 30 50 CFEA C[C@]1(CNc2cc[nH]c(=N)c2C#N)C[C@H]2CC[C@H]1C2 2325862263 OARPRTGVGIFCAR-ZIBATOQPSA-N 256.353 2.604 30 50 CFEA COc1ccc(-c2nc(C#N)c(N3CCCC3)o2)cc1 469430 KODPGCJQOJVVEG-UHFFFAOYSA-N 269.304 2.822 30 50 CFEA COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1C 3374745 IIJFYNIRJXLYMC-UHFFFAOYSA-N 296.326 2.893 30 50 CFEA C=CCc1cccc(Cl)c1OCCN1CCN(C)CC1 20653471 OXAVNSUXCUXGNF-UHFFFAOYSA-N 294.826 2.695 30 50 CFEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)N[C@H](C)CC1CC1 328639271 WVOWIUCATCXSDH-MRVWCRGKSA-N 268.401 2.740 30 50 CFEA CO/N=C/[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl 5248311 LXVBOSFZIQAIKP-GJNWZYTQSA-N 277.633 2.993 30 50 CFEA CC(C)(CN1CCCC1)CN1CCC[C@@](C)(C#N)C1 826679754 WOESIJIRRYSAAY-INIZCTEOSA-N 263.429 2.734 30 50 CFEA C#CCCC1(CCC(=O)N2CC[C@@]3(C2)CC3(F)F)N=N1 952882142 RUXGTPQYHAEXDJ-LBPRGKRZSA-N 281.306 2.600 30 50 CFEA C=CCC(O)(CC=C)CNCc1ccc(Cl)o1 952860122 FNDJXANTVRWWGS-UHFFFAOYSA-N 255.745 2.906 30 50 CFEA CC(C)(C)OC(=O)N1CC[C@@]2(C=O)CCCC[C@H]12 1535644948 DENLNXDFUBLANB-SMDDNHRTSA-N 253.342 2.755 30 50 CFEA N#C[C@H](CC1CC1)C(=O)N1CCO[C@H](c2cccs2)C1 170080067 XMNNHYJREATXDS-STQMWFEESA-N 290.388 2.588 30 50 CFEA Cc1cc(NC(=O)N2CCC(C#N)CC2)ccc1F 96131541 DDFVHCOACAWCEZ-UHFFFAOYSA-N 261.300 2.902 30 50 CFEA CN(C)/C=N/c1ccc2nn(-c3ccccc3)nc2c1 13142366 WYLINWWCLVUKRD-LFIBNONCSA-N 265.320 2.642 30 50 CFEA O=C1C(=O)c2ccccc2/C1=C/c1ccccc1[N+](=O)[O-] 2566461 CLKBNCTTWSIKBW-LCYFTJDESA-N 279.251 2.901 30 50 CFEA COc1ccc(CN(CC#N)[C@@H](C)C2CC2)c(OC)c1 253392584 NYBNNTHEDMMCJS-LBPRGKRZSA-N 274.364 2.828 30 50 CFEA CC[C@H](CC#N)NC(=O)C1CCN(Cc2ccccc2)CC1 368358747 XVYAWJWQYJTPGL-QGZVFWFLSA-N 299.418 2.707 30 50 CFEA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(C#N)c1 249694628 PGTOLCYYJIYNSR-IAGOWNOFSA-N 297.402 2.647 30 50 CFEA O=[N+]([O-])c1ccc(/C=N/c2ccc([N+](=O)[O-])cc2O)cc1 100456108 GNDQTJIKKPHGTI-RIYZIHGNSA-N 287.231 2.959 30 50 CFEA CC1(C)OC[C@H](C[C@@]23CCC(=O)C=C2CCCC[C@H]3O)O1 71786787 ANXHPKREXIUXBF-UXLLHSPISA-N 294.391 2.739 30 50 CFEA CN1C(=O)c2c(N=[N+]=[N-])cc(N=[N+]=[N-])cc2[S@]1=O 245256352 PKHODFLKUJJXQB-GOSISDBHSA-N 263.242 2.678 30 50 CFEA C[C@@H]1C2=C([C@H]3CC[C@H]2C3)[C@H](C)[C@H]2C(=O)C=CC(=O)[C@@H]12 254350542 MFWXBRNFSDCQBU-FQWVVEQPSA-N 256.345 2.939 30 50 CFEA C=CC[C@H](CC)NC(=O)NCc1cccc(C#N)c1 281110118 ZCDMTBASFXLHCA-AWEZNQCLSA-N 257.337 2.712 30 50 CFEA Cc1nc(N2CCC[C@H]2[C@H]2CCCOC2)ccc1C#N 563052887 GLGZKRNNGJMGLL-GJZGRUSLSA-N 271.364 2.657 30 50 CFEA CCCc1ccc(C(=O)O/N=C(/N)c2ccccn2)cc1 18217880 XHYJWQYODXHYBK-UHFFFAOYSA-N 283.331 2.511 30 50 CFEA COc1ccc(OC)c(/C=N\Nc2nccs2)c1 4482793 LYFXOJHVVJHYKX-ZSOIEALJSA-N 263.322 2.606 30 50 CFEA COc1cccc2c1C(=O)C1=C(C[C@H](C)O[C@@H]1C)C2=O 4098670 IAJIIJBMBCZPSW-DTWKUNHWSA-N 272.300 2.568 30 50 CFEA biogenic,in-vitro C=CCN1C(=O)N[C@H]2C[C@@]1(C)Oc1ccc(C)cc12 235984730 ZQELXDCHIQAVFA-SWLSCSKDSA-N 258.321 2.746 30 50 CFEA O=C(C[n+]1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 1596950 JQTAZHQUTKUVMU-UHFFFAOYSA-N 293.302 2.918 30 50 CFEA C=C1OC(=O)O[C@@]1(C)CCc1ccc2c(c1)OCO2 52485 LTECCNBPSDEPNA-AWEZNQCLSA-N 262.261 2.787 30 50 CFEA CC(C)(C)c1cc(-c2ccc(CO)o2)c(C#N)c(N)n1 71714464 MBICFWCFDKZMCN-UHFFFAOYSA-N 271.320 2.585 30 50 CFEA Cc1ccc2c(N)c(C#N)cnc2c1Br 132149936 PZXCPRHIOMAFFP-UHFFFAOYSA-N 262.110 2.760 30 50 CFEA CC#CC(=O)NCc1ccc(-c2scnc2C)cc1 1875387525 LZPGPINROWDXKF-UHFFFAOYSA-N 270.357 2.758 30 50 CFEA Cn1c(S[C@@H]2CC[C@H](C#N)C2)nnc1-c1cccnc1 278551024 LMYCSCISLHCQEQ-CMPLNLGQSA-N 285.376 2.661 30 50 CFEA COC(=O)c1ccc(Oc2ncccc2C#N)cc1OC 302700807 HVQWPYPSLFMCTR-UHFFFAOYSA-N 284.271 2.541 30 50 CFEA CC[C@@]1(C#N)CCCN(C(=O)c2cc(C)ncc2OC)C1 1857678411 FWLQRWQHEZFEBL-INIZCTEOSA-N 287.363 2.555 30 50 CFEA CC#CC(=O)N[C@@H]1CCCC[C@@H]1Oc1cccc(C)c1 801174961 BVQQXVJYSOCXFQ-CVEARBPZSA-N 271.360 2.825 30 50 CFEA C=CCn1cc(CNC[C@@H](C)n2nc(C)cc2C)c(C)n1 55197504 FBGXVLYRWIZESN-CQSZACIVSA-N 287.411 2.542 30 50 CFEA CN1CCC[C@H]1[C@H]1CCCN1C(=O)C1(C#N)CCCCC1 248090432 CBSJLXSYVQUNEP-LSDHHAIUSA-N 289.423 2.546 30 50 CFEA C#CCC(C)(C)C(=O)N[C@@H](C)COc1ccc(F)cc1F 170596795 WOXOVUHVIKPHII-NSHDSACASA-N 295.329 2.898 30 50 CFEA CCN(Cc1ccccc1C#N)CC1CCOCC1 215647363 IFYCFKVTXMJZDE-UHFFFAOYSA-N 258.365 2.807 30 50 CFEA CC(C)(C)c1ccc(-c2nc(S)[nH]c(=O)c2C#N)cc1 5238823 IIJVFFBOWAKJOE-UHFFFAOYSA-N 285.372 2.895 30 50 CFEA N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCOCC2)co1 2325810691 YCJMSHVIJDXILK-HNNXBMFYSA-N 288.347 2.573 30 50 CFEA O=C1Nc2ccccc2/C1=C1\Nc2ccccc2C1=O 100015416 CRDNMYFJWFXOCH-BUHFOSPRSA-N 262.268 2.658 30 50 CFEA aggregator,biogenic,investigational C=C(C)COc1cccc(C(=O)NC[C@@]2(C)CCCO2)c1 55404848 HTOMQQPPNHRKGF-QGZVFWFLSA-N 289.375 2.940 30 50 CFEA CC#C/C(O)=N/[C@@H]1CCCN(c2cccc(OC)c2)C1 328596170 VVFYHPFIJSVKBA-CYBMUJFWSA-N 272.348 2.644 30 50 CFEA CC(C)c1ccoc1C(=O)N(C)c1cc(C#N)ccn1 253416627 UDEABYMQGYAVEU-UHFFFAOYSA-N 269.304 2.946 30 50 CFEA Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1cnc(C#N)cn1 130003219 GIIHVLUDTNDJOX-JTQLQIEISA-N 284.367 2.781 30 50 CFEA C/N=C(/O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl 330475938 UGKXSAVHQFBKRA-UHFFFAOYSA-N 282.771 2.937 30 50 CFEA C[C@@H]1CN(c2ccc(C#N)c(N)n2)Cc2ccccc21 848642823 KZSPOQBALRQATP-LLVKDONJSA-N 264.332 2.659 30 50 CFEA Cc1cc(C)c(C#N)c(NCc2c(C)noc2C)n1 109311091 DONFJILGPJPOOJ-UHFFFAOYSA-N 256.309 2.787 30 50 CFEA CN(C)c1ccc(-c2cc(C#N)n(C(F)F)c2)cn1 426683762 HAIASNLGSMPQHK-UHFFFAOYSA-N 262.263 2.883 30 50 CFEA Cc1cc(Cl)c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1C 183110241 LKXMRQWPXBCJGD-UHFFFAOYSA-N 299.721 2.676 30 50 CFEA Cc1nc(C)c(C(=O)NC[C@H]2CC[C@H](C#N)CC2)s1 1875307114 KVTALFJEKLTYPB-HAQNSBGRSA-N 277.393 2.820 30 50 CFEA COCCOc1ccc(/C=N/c2cc(C)on2)cc1OC 5793315 WWYPFWFXKJYFDA-MHWRWJLKSA-N 290.319 2.767 30 50 CFEA CC(C)c1ccc(OCCNc2nccnc2C#N)cc1 263916542 TXVKLAJMHMKNDE-UHFFFAOYSA-N 282.347 2.963 30 50 CFEA CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@](C=O)(C2)C1 1857781860 RJWCMLXIGRAPCS-SMDDNHRTSA-N 253.342 2.613 30 50 CFEA C=CCNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 1778341 PDDXPXLOYDQQHS-UHFFFAOYSA-N 293.363 2.799 30 50 CFEA C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1CC1CCCC1 82134897 KQPKSKHXXVRPQI-CQSZACIVSA-N 297.402 2.786 30 50 CFEA N#CCc1nc(C(F)(F)F)ccc1Br 238569509 UMXRPKXQQHRRLI-UHFFFAOYSA-N 265.032 2.929 30 50 CFEA C=C1CCC(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)CC1 888677970 JBZQSYBSGDMEEJ-UHFFFAOYSA-N 299.330 2.715 30 50 CFEA Cc1nn([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1C#N 408230800 IZRZMLBMHDTWIG-NLRBGTRBSA-N 288.395 2.565 30 50 CFEA CCc1cnc(C)nc1NCc1cccc(C#N)c1 1529144192 RIRRWPNSAXBNBO-UHFFFAOYSA-N 252.321 2.831 30 50 CFEA C=CCNC(=O)CN(C)C[C@@]1(c2ccccc2)CC1(C)C 1529173475 WQXITAOSEMDRRG-GOSISDBHSA-N 286.419 2.588 30 50 CFEA O=C1C(=Cc2cccc(O)c2)C(=O)c2ccccc21 294551 XUEIWMCKQMXPMI-UHFFFAOYSA-N 250.253 2.855 30 50 CFEA CSC1=N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)S1 4755119 DKADWPAARANSEE-TWGQIWQCSA-N 280.330 2.928 30 50 CFEA O=C1Oc2ccccc2C(=O)/C1=C/Nc1ccccc1 100294222 BEFDHKHQIOOKDD-RAXLEYEMSA-N 265.268 2.784 30 50 CFEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccccc1 100494045 XZQDWVORGQYWMV-LBPRGKRZSA-N 269.344 2.933 30 50 CFEA Cc1ccc(C(=O)CN2C=C/C(=C3\C=CC=[S+]3)N=C2)cc1 328579875 IFPYPKITAGIUSD-ICFOKQHNSA-N 295.387 2.702 30 50 CFEA CCOC(=O)c1cc(C#N)c(F)cc1Br 263623825 LBKOHJGZVMMTHI-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA CC#CC(=O)N[C@@H]1CCCc2c(F)cc(Cl)cc21 1875365870 NCIYWHNLCWDZAU-CYBMUJFWSA-N 265.715 2.996 30 50 CFEA N#C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1 34657152 DBRNQEMYPUOCCJ-LBPRGKRZSA-N 271.147 2.890 30 50 CFEA in-vitro CC[C@]12C[C@@H]1CN(C(=O)c1cc(F)cc(C#N)c1)C2 1772808787 BEYCETXNSDKELG-IUODEOHRSA-N 258.296 2.569 30 50 CFEA COc1cc(O)cc(O)c1C(=O)/C=C/c1ccc(O)cc1 5998943 OWGUBYRKZATRIT-QPJJXVBHSA-N 286.283 2.708 30 50 CFEA biogenic,in-vitro O=[N+]([O-])c1ccccc1N/N=C/c1ccccc1O 12375298 MFDJPWWKEQIHCB-NTEUORMPSA-N 257.249 2.746 30 50 CFEA C=CCC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1 12591033 TYDVRTWEPIALLO-CQSZACIVSA-N 264.413 2.866 30 50 CFEA CC1(C)OB(c2cnc3[nH]cc(Cl)c3c2)OC1(C)C 169994536 BPAAWYLOFQTVPA-UHFFFAOYSA-N 278.548 2.516 30 50 CFEA C/C(=N/Nc1ccccn1)c1cccc([N+](=O)[O-])c1 4421382 LBZOUGFXGZKSJT-GDNBJRDFSA-N 256.265 2.826 30 50 CFEA N#Cc1ncccc1NC[C@@H]1CCN(Cc2ccccc2)C1 309697164 FIYWYEUJKKGZGT-INIZCTEOSA-N 292.386 2.887 30 50 CFEA CCCCCCCCn1nnn(Cc2ccccc2)c1=N 2518830 NZOIHHQRRRNBRQ-UHFFFAOYSA-N 287.411 2.968 30 50 CFEA C#CCCC1(CCC(=O)N2c3ccncc3C[C@@H]2C)N=N1 952881208 GBAUBVITJWYRKQ-LBPRGKRZSA-N 282.347 2.715 30 50 CFEA C#C[C@H](N[C@@H]1CCOC1)c1ccc(Br)cc1 585117128 RNYHGSDQMJXTLO-OLZOCXBDSA-N 280.165 2.502 30 50 CFEA CCCN(CCC)C/C(=N/O)C(=O)Nc1ccccc1 19300893 AHUUTJKQYILIGV-VKAVYKQESA-N 277.368 2.577 30 50 CFEA CCN(CC)C(=O)CSc1nc(C)cc(C)c1C#N 184207 PKPCZCWPPKZETC-UHFFFAOYSA-N 277.393 2.531 30 50 CFEA N#Cc1ccc(CN2CCO[C@H]3CCCC[C@H]32)cc1 230251069 KDKRRQORUZOKFU-CVEARBPZSA-N 256.349 2.702 30 50 CFEA N#C/C(=N\Nc1ccc(F)cc1)C(=N)N1CCCCC1 62884 WWBSPSFJRHDQLC-QFVQXBGYSA-N 273.315 2.580 30 50 CFEA Cc1nsc(NC(=O)C2(C3CCC3)CC2)c1C#N 2325806533 LWVNXHDTEVBGOX-UHFFFAOYSA-N 261.350 2.842 30 50 CFEA O=C1C=C(NC[C@@H]2CCCO2)C[C@@H](c2ccccc2)C1 4624950 PUIXCYCVBUMQNS-PBHICJAKSA-N 271.360 2.786 30 50 CFEA CC1(C)[C@@H](NCCc2cccc(C#N)c2)[C@@H]2CCO[C@@H]21 374262708 LPMUDIOLDFECMC-JYJNAYRXSA-N 270.376 2.504 30 50 CFEA CC(C)(C)OC(=O)N1CC[C@](C=O)(c2ccc(F)cc2)C1 238138797 SGERSXGIPAXPQE-INIZCTEOSA-N 293.338 2.903 30 50 CFEA C=C(Br)CN[C@H](COC)c1ccccc1 181678429 XHLAJCONBZAPHP-GFCCVEGCSA-N 270.170 2.872 30 50 CFEA CN1C(=O)c2c(N=[N+]=[N-])cc(N=[N+]=[N-])cc2[S@@]1=O 245256351 PKHODFLKUJJXQB-SFHVURJKSA-N 263.242 2.678 30 50 CFEA O=C(N[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21)[C@@H]1CO1 1875373187 VSFYLQCMNMYCGZ-PVAVHDDUSA-N 295.338 2.767 30 50 CFEA CC1(C)OB(C2=CCN(CC(F)(F)F)CC2)OC1(C)C 206768967 UFKUKPYUIMQHQV-UHFFFAOYSA-N 291.122 2.812 30 50 CFEA in-vitro Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1Cl 4171364 NSQHFBBQWXTDSE-UHFFFAOYSA-N 289.722 2.521 30 50 CFEA N#Cc1ccc(N2CC[C@@H](C3CCOCC3)C2)cc1 328586507 UVTBMGOCEXJIFM-OAHLLOKOSA-N 256.349 2.811 30 50 CFEA Cn1/c(=N/N=C/c2cccnc2)sc2ccccc21 4818996 IAEQTFIXDDDSBI-CDEAFOTRSA-N 268.345 2.570 30 50 CFEA Cc1ccc(C(=O)O/N=C(\N)c2cccc(C)c2)cc1 4954389 OQCKNJGWILCQMI-UHFFFAOYSA-N 268.316 2.781 30 50 CFEA C=CCOC(=O)C1=Cc2cc(Cl)ccc2OC1 3125226 YSBQRPVWDUXONV-UHFFFAOYSA-N 250.681 2.845 30 50 CFEA C[C@H](C(=O)N[C@@H](C#N)[C@H]1CCOC1)c1ccc(Cl)s1 245339223 RICBHUAOQKXYBF-GUBZILKMSA-N 298.795 2.550 30 50 CFEA C[C@]12C[C@@H]3O[C@]34[C@H](CCC3=CC(=O)C=C[C@]34C)[C@H]1CCC2=O 257356134 GCLIXCGWTLQNCF-UUGYHDGCSA-N 298.382 2.995 30 50 CFEA N#C[C@H](CC(=O)O)c1ccc(Br)cc1 39953801 AYOMFJWRKMHFBL-QMMMGPOBSA-N 254.083 2.531 30 50 CFEA in-vitro N#Cc1ccnc(NC[C@@H](O)c2ccc(Cl)c(F)c2)c1 408516233 QILWLYGPIVNDQU-CYBMUJFWSA-N 291.713 2.891 30 50 CFEA C=CCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2F)C1 12073127 OAIXUYKSFRSPNI-OAHLLOKOSA-N 290.382 2.825 30 50 CFEA COc1cc([N+](=O)[O-])cc(/C=N/Cc2ccco2)c1O 25666229 PIXKLOSEWFIMBR-VGOFMYFVSA-N 276.248 2.521 30 50 CFEA CC1(C)CC(=O)C(C(=O)/C=C/c2ccccc2)C(=O)C1 100551778 DQKSJYDDCARFFO-CMDGGOBGSA-N 270.328 2.843 30 50 CFEA N#Cc1cnc(NC[C@H]2CCO[C@@H]2c2ccccc2)cn1 328611297 LCAYQYOBLCNQFG-CZUORRHYSA-N 280.331 2.538 30 50 CFEA C=C(C)CN(CC)C(=O)Nc1ccnn1CC1CC1 160399164 XJEDLNLWFZIFIT-UHFFFAOYSA-N 262.357 2.723 30 50 CFEA CN(Cc1ccccc1-c1ccccc1)C(=O)[C@H]1CO1 1875373271 XIIZHJLSGWYPAA-MRXNPFEDSA-N 267.328 2.711 30 50 CFEA CCc1nc(C#N)cc(N2Cc3ccccc3O[C@H](C)C2)n1 596242705 VPECTOLKEMPKEB-GFCCVEGCSA-N 294.358 2.698 30 50 CFEA CC[C@H]1CN(c2nc3ncccc3cc2C#N)CCCO1 596220505 PBAYCCGCWFKJQU-AWEZNQCLSA-N 282.347 2.507 30 50 CFEA CC#CC(=O)N(Cc1c(F)cccc1Cl)C1CC1 1875363016 OEMJAOXFTQAINL-UHFFFAOYSA-N 265.715 2.993 30 50 CFEA COc1cccc(/C=N/c2ccc(C(=O)O)c(O)c2)c1O 2143665 UOGFQESOZCHXLX-LZYBPNLTSA-N 287.271 2.555 30 50 CFEA Cc1cc(C#N)cc(N2CCC[C@@H]2[C@H]2CCCOC2)n1 591954814 BCVBPHXHWFMDMV-LSDHHAIUSA-N 271.364 2.657 30 50 CFEA CCOC(=O)c1cc(C#N)c(O)nc1-c1ccccc1 1383000 QTDJAMGJLOJKCG-UHFFFAOYSA-N 268.272 2.503 30 50 CFEA C/C(=C\C(=O)c1ccncc1)Nc1ccccc1O 100482244 YDDSRCGSOWJCSI-ZHACJKMWSA-N 254.289 2.986 30 50 CFEA CC(=O)c1ccc(-c2nc(C)c(C(=O)O)cc2C#N)cc1 216415776 JNFCEDSIEMNIIN-UHFFFAOYSA-N 280.283 2.830 30 50 CFEA CNc1sc(C(=O)c2ccc(F)cc2)c(N)c1C#N 1427376 WOJQTSVAJXWNAR-UHFFFAOYSA-N 275.308 2.614 30 50 CFEA OC(CN1C=C/C(=C2\C=CC=[S+]2)N=C1)=Nc1ccccc1 328579836 BKHQYFYOFWPCLG-PFONDFGASA-O 296.375 2.798 30 50 CFEA C=C[C@@H]1CCN(Cc2ccc(OCCN(C)C)cc2)C1 820443836 NMWYQAXRPDMQKI-OAHLLOKOSA-N 274.408 2.635 30 50 CFEA Cc1cc(NC(=O)CC#N)ccc1Br 19473631 IKMOLYRPAKVCBN-UHFFFAOYSA-N 253.099 2.610 30 50 CFEA CC1(C)C/C(=N\O)[C@H]([C@@H](O)c2ccccc2)C(C)(C)N1 4535261 VGFIOZVWVYMGPY-BDBQSGOASA-N 276.380 2.717 30 50 CFEA Cc1c(C#N)c(N2C[C@@H](C)CO2)nc2ccccc12 1857680235 FEDQJQGLNMHBGK-SNVBAGLBSA-N 253.305 2.803 30 50 CFEA C=CCNC(=O)c1ccc(CN2CCCCC2)cc1 10330780 YPVMBQBSEIFCGF-UHFFFAOYSA-N 258.365 2.588 30 50 CFEA N#Cc1c(F)cccc1NCCc1csc(O)n1 357783178 YDCDFELPOYKRCR-UHFFFAOYSA-N 263.297 2.514 30 50 CFEA Cc1n[nH]c(C)c1-c1cc(-c2cc[nH]c2)nc(N)c1C#N 71614488 VQHSSIIGCPYBJX-UHFFFAOYSA-N 278.319 2.538 30 50 CFEA C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)CCC2 336231525 QXHLOGXKKIKXJB-CABCVRRESA-N 257.333 2.705 30 50 CFEA CCOC(=O)[C@@H]1[C@@H](B2OC(C)(C)C(C)(C)O2)[C@@H]1C1CC1 1875389914 NCVQUOXJXLWUEN-WOPDTQHZSA-N 280.173 2.668 30 50 CFEA CN(C)C(=O)C1(CNc2ccc(C#N)cc2F)CCCC1 264986578 SCCZKPVVWRMSQF-UHFFFAOYSA-N 289.354 2.758 30 50 CFEA CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 9089012 YNWDYKLIIQOQKU-HNNXBMFYSA-N 293.322 2.895 30 50 CFEA CCOC(=O)C/C(C)=N\c1ccn(-c2ccccc2)n1 103579406 UFJFSKNIKJRUMJ-VBKFSLOCSA-N 271.320 2.918 30 50 CFEA C=CCN(C(=O)CSc1nnc(C)s1)C1CCCC1 63883924 IARKWMBAOCQCJJ-UHFFFAOYSA-N 297.449 2.896 30 50 CFEA N#CC1(C#N)[C@H]2C=C3CCCC[C@@]3(CC2)C1(C#N)C#N 45071055 BGFVLADGRSOMNS-KGLIPLIRSA-N 262.316 2.964 30 50 CFEA O=C[C@@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6[C@@H]7[C@H]4[C@@H]4[C@H]8C[C@H]([C@H]43)[C@@H]1[C@@H]1C[C@H]([C@@H]87)[C@H]6[C@@H]1[C@H]52 257357818 QERQQRCTVDBZKG-LXIJYOCNSA-N 290.406 2.563 30 50 CFEA O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1CO1 1875372959 QMLWQMBECMJTHY-RYUDHWBXSA-N 285.265 2.672 30 50 CFEA N#Cc1cc([N+](=O)[O-])ccc1NC1CC(c2ncc[nH]2)C1 1776005246 DZKITKNQIKEHQL-UHFFFAOYSA-N 283.291 2.548 30 50 CFEA N#CCCCSc1nnc(C(F)(F)F)s1 188185651 MFOXIAJBHYRPPG-UHFFFAOYSA-N 253.274 2.953 30 50 CFEA COc1ccc([C@H](C#N)Nc2ccccc2N)cc1OC 2383823 VSQRPFQLKRCJNN-AWEZNQCLSA-N 283.331 2.963 30 50 CFEA CC(=O)c1ccc2c(c1)c(C#N)c1ccccc1[n+]2[O-] 4085576 KXCIDRGPJGHSRV-UHFFFAOYSA-N 262.268 2.701 30 50 CFEA C[C@@]1(C#N)CCCN(C2CCN(Cc3ccco3)CC2)C1 670467422 WTXHAQQOPXNLMU-KRWDZBQOSA-N 287.407 2.870 30 50 CFEA CC[C@H](CC#N)NC(=O)c1cccc([C@H]2CCCN(C)C2)c1 585089452 NUIWMEJLVVSWCM-DLBZAZTESA-N 299.418 2.918 30 50 CFEA N#Cc1ccc(NC[C@H](O)Cc2ccccc2)cc1 301072189 JMYXVEDEGBTWDG-MRXNPFEDSA-N 252.317 2.574 30 50 CFEA Cc1cc(=NCc2noc(C3CCCC3)n2)[nH]c(C)c1C#N 2356168383 AZAUKWSSUBOVHP-UHFFFAOYSA-N 297.362 2.645 30 50 CFEA Cc1ccc(NC(=O)CNCC#Cc2ccccc2)cc1 57291998 SRGFAJWCUXETFW-UHFFFAOYSA-N 278.355 2.575 30 50 CFEA N#Cc1ccccc1C(=O)N1CCCC[C@@H]1CN1CCCC1 221193079 XBNRWEVEAQKPFS-MRXNPFEDSA-N 297.402 2.649 30 50 CFEA Cc1c(C#N)cccc1NC(=O)Nc1ccn(CCC#N)n1 191555170 OXJQKCNUVDTPAP-UHFFFAOYSA-N 294.318 2.621 30 50 CFEA N#Cc1ccc(N2CCC[C@H](c3ccncc3)C2)nc1 596254954 UTUYGLKKCLXIPE-HNNXBMFYSA-N 264.332 2.732 30 50 CFEA CCOC(=O)/C(=C\C=C\N(C(C)C)C(C)C)C(C)=O 16134011 VEGATORHZFWSHY-VMXBWBJUSA-N 267.369 2.697 30 50 CFEA Nc1ccc(N/N=C\c2ccccc2Cl)c(N)c1 5571895 FALPTIFNWHYJCG-IUXPMGMMSA-N 260.728 2.950 30 50 CFEA CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SCC1=O 350502 KJEPGRNXDUXOLD-UHFFFAOYSA-N 297.763 2.843 30 50 CFEA C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCO3)c2C#N)C1 87529 RMDSCSYCOGQKCX-SKDRFNHKSA-N 290.388 2.862 30 50 CFEA C=CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 2752297 WIZKJHQUODJRTA-SNVBAGLBSA-N 253.729 2.718 30 50 CFEA COCCNc1oc(-c2ccccc2C)nc1C#N 2836836 FZKSSPBDBUIGFT-UHFFFAOYSA-N 257.293 2.580 30 50 CFEA NC(=O)c1ccccc1N/C=C/C(=O)c1ccc(F)cc1 8680880 HWQCRIJNMSCDRM-MDZDMXLPSA-N 284.290 2.733 30 50 CFEA C=CCNc1ccc(C(=O)N2CCC[C@]3(CCNC3)C2)cc1 67672997 SREAQJIUUBMZBD-GOSISDBHSA-N 299.418 2.500 30 50 CFEA C[C@]1(NCCCC2(C#N)CCOCC2)CCO[C@H]1C1CC1 366912897 NBTNZWWHEVWQMJ-HOTGVXAUSA-N 292.423 2.634 30 50 CFEA Cc1nc(CC2CC2)sc1/C(O)=N/[C@@H]1C[C@H](O)C1(C)C 330032140 UNRVZOAOPZCVEM-MNOVXSKESA-N 294.420 2.868 30 50 CFEA C=C(C)CNC(=O)Nc1cccc(CN(CC)C(C)=O)c1 156461840 RVLNBWYJQJAHLE-UHFFFAOYSA-N 289.379 2.753 30 50 CFEA Oc1cccc(C=NN2CCN(Cc3ccccc3)CC2)c1 238936974 SREMFPMVDNDRHG-UHFFFAOYSA-N 295.386 2.544 30 50 CFEA CC[C@H](Nc1cc(C)c(C#N)c(C)n1)[C@H]1C[C@H](O)C1 244691814 JJTSIZUNBCXGSL-OBJOEFQTSA-N 259.353 2.532 30 50 CFEA CCOC(=O)c1cc(C#N)cc(F)c1Br 263624712 SVPITUDVDVHLBN-UHFFFAOYSA-N 272.073 2.637 30 50 CFEA C=CCOc1cccc(C(=O)Nc2cccnc2)c1 4841531 SZPZLDTWRIVRAV-UHFFFAOYSA-N 254.289 2.899 30 50 CFEA CO[C@H](CNc1snc(C)c1C#N)C(C)(C)C 288575937 XBGCSNQPKQYWQB-SNVBAGLBSA-N 253.371 2.796 30 50 CFEA CC(C)(C#N)c1cc(Cn2cnnc2)cc(C(C)(C)C#N)c1 96032217 UHMBCUNKPNNBSD-UHFFFAOYSA-N 293.374 2.929 30 50 CFEA CC#CC(=O)N[C@@H](CCN1CCCCC1)c1ccccc1 1875378803 KHGXTHRBTNWWFY-KRWDZBQOSA-N 284.403 2.743 30 50 CFEA CC[C@@H](CC#N)OC(=O)/C=C/c1ccc2c(c1)OCO2 170605104 WAALZUIZVQMPBL-FUEXJSSKSA-N 273.288 2.664 30 50 CFEA Cc1ccc(CN2CCC[C@@H]2c2ccc(O)nn2)cc1C#N 599636634 NXIDFKFPVKAPCH-MRXNPFEDSA-N 294.358 2.699 30 50 CFEA N#Cc1ccccc1OCCn1cnc2ccccc21 527795 GEPZIGJHDGWWJD-UHFFFAOYSA-N 263.300 2.987 30 50 CFEA Cc1ccncc1NC(=O)Nc1cccc(C#N)c1 1202776706 KUGXNNCPAFBCHD-UHFFFAOYSA-N 252.277 2.906 30 50 CFEA Cc1ccc(-c2cn(-c3ccc(C#N)cc3)nn2)cn1 2325818248 VMCMEKUMYFNMIA-UHFFFAOYSA-N 261.288 2.509 30 50 CFEA N/N=C1/C[C@H]2CC[C@H]1c1c(F)c(F)c(F)c(F)c12 102318744 JZJYWYFCRKVDJU-VTFIMBQGSA-N 258.218 2.922 30 50 CFEA C=CCC(O)(CC=C)[C@@H](C)NC(=O)c1ccnc(Cl)c1 20535465 APNZSHJWDTYJAI-LLVKDONJSA-N 294.782 2.737 30 50 CFEA Oc1ccccc1/C=N/[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 124144462 OOYCAKQTKVZJBL-SLYZXBMNSA-N 257.333 2.769 30 50 CFEA OC(=Nc1nc2cccnc2[nH]1)C1[C@H]2CCCC[C@H]12 330219301 KAYJEPXZJCACBR-IUCAKERBSA-N 256.309 2.982 30 50 CFEA N#C[C@@H]1CCCN(C(=O)NCCCCc2ccccc2)C1 426618100 JECDQRAXLVOMQD-INIZCTEOSA-N 285.391 2.954 30 50 CFEA Cc1cc(C)n(CCN(C)Cc2ccccc2C#N)n1 670467849 HQGWAIQBRROLIP-UHFFFAOYSA-N 268.364 2.504 30 50 CFEA C#CCCC1(CCC(=O)N2CCCC[C@@H]2C(F)F)N=N1 952879784 ATTZYKOUDSNRRS-LLVKDONJSA-N 283.322 2.988 30 50 CFEA CC(C)(C)C[C@@H](NC(=O)[C@H]1CO1)c1ccc(F)cc1 1875372681 KTBAGYJQJMGLQC-CHWSQXEVSA-N 265.328 2.818 30 50 CFEA Fc1ccc(NC(=S)N/N=C/c2ccco2)cc1 2391964 BOOHWVBAEHZGRR-RIYZIHGNSA-N 263.297 2.739 30 50 CFEA N#Cc1ccc(CN(CCO)Cc2cccs2)cc1 65373533 TXCWUIQJMDLRNE-UHFFFAOYSA-N 272.373 2.614 30 50 CFEA CCCc1cc(NCCO)n2c(nc3ccccc32)c1C#N 4136196 QUWNZOJRYCIVCT-UHFFFAOYSA-N 294.358 2.716 30 50 CFEA C=CCc1cccc(C)c1OCCCN1CCN(C)CC1 20117963 WKKJAHGBWPRCBT-UHFFFAOYSA-N 288.435 2.740 30 50 CFEA C=CCN(Cc1ccccn1)Cc1cccc2c1OCO2 65469159 NVXYOHDJJUBONL-UHFFFAOYSA-N 282.343 2.999 30 50 CFEA CCOC(=O)c1cnc2c(C#N)cccc2c1Cl 3118808 MHOFAUCLSGVKOH-UHFFFAOYSA-N 260.680 2.937 30 50 CFEA O=C(/C=C/N1CCc2ccccc21)C(F)(F)Cl 4052119 YKXKVXYFTOPCBS-SOFGYWHQSA-N 257.667 2.964 30 50 CFEA N#CCc1cc(Br)nc(C(F)(F)F)c1 238566611 XEJSBZMUMAULNC-UHFFFAOYSA-N 265.032 2.929 30 50 CFEA CCC(Cl)=NOC(=O)Nc1ccc(C(=O)OC)cc1 239173755 OPDFBMHUJFUJLA-UHFFFAOYSA-N 284.699 2.984 30 50 CFEA COc1ccc(C=Nn2c(C)nc3ccccc3c2=O)cc1 252320781 RGBOVXWSXCIOLZ-UHFFFAOYSA-N 293.326 2.596 30 50 CFEA N#Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)c(F)c1 170672920 QOENGGMCOKWSDY-UHFFFAOYSA-N 259.196 2.793 30 50 CFEA Cc1nc2ccccc2c(=O)n1/N=C/c1ccccc1 547723 GYMSNJNCODEXOC-GZTJUZNOSA-N 263.300 2.587 30 50 CFEA C=CCN1C(=O)/C(=C\c2cccs2)C(C(=O)OC)=C1C 462321 BWUWCXFQVTUUBZ-XFXZXTDPSA-N 289.356 2.607 30 50 CFEA Cc1nc(N2CCC[C@H](CCO)CC2)c(Cl)cc1C#N 591465536 FQQZBFKYGZAQSA-LBPRGKRZSA-N 293.798 2.904 30 50 CFEA Cc1cc(CN=C2NC[C@@H](c3ccccc3)N2)c(C)o1 2325864245 JWLNSNDTBOQUIS-HNNXBMFYSA-N 269.348 2.687 30 50 CFEA C=CCNC(=O)c1cc(-c2cccc(Cl)c2)on1 3908263 PNGBAVXTRPRXCC-UHFFFAOYSA-N 262.696 2.911 30 50 CFEA CC#CC(=O)NCc1ccc(OCCC)cc1OC(F)F 283166644 KKYIATVIRMCEAL-UHFFFAOYSA-N 297.301 2.716 30 50 CFEA CO[C@]1(C)CCCN(C(O)=Nc2c(C)noc2C2CC2)C1 329954259 NRNJSERAJFKEFR-OAHLLOKOSA-N 293.367 2.907 30 50 CFEA CC(C)[C@@H](NCc1cccc(C#N)c1)C1(CO)CCC1 292722185 FLKQNBJGHSEBGM-MRXNPFEDSA-N 272.392 2.835 30 50 CFEA CCN(CC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169809946 WVPMYKCIKQQJIV-UHFFFAOYSA-N 275.201 2.832 30 50 CFEA in-vitro CC#CC(=O)N[C@@H]1C[C@@H]1Cc1ccc(C(F)(F)F)cc1 408515926 QNSWBXJITLWTGQ-WCQYABFASA-N 281.277 2.776 30 50 CFEA COc1c(Cl)cc(Cl)cc1/C=N/OC(C)=O 290453 ZUYXSDLKMIYKEE-WLRTZDKTSA-N 262.092 2.899 30 50 CFEA C=CCN1CCN(C(=O)[C@H](CC)CCCC)CC1 20582181 SUBDPHSKQRXDCG-CQSZACIVSA-N 252.402 2.533 30 50 CFEA C=C/C(O)=N/CC1CCN(c2ccccc2C#N)CC1 328598708 NSHHTDUTUXIVPU-UHFFFAOYSA-N 269.348 2.917 30 50 CFEA CSC(=NS(=O)(=O)c1ccc(C)cc1)SC 56951 OWIPGZGAUSIOAX-UHFFFAOYSA-N 275.420 2.766 30 50 CFEA biogenic,in-vitro CCC[C@@H]1C[C@@H]1N/C(O)=N/[C@@H]1CCC[C@@H]2OCC[C@@H]21 329923000 IGTPPMYVPUMDSF-POQQGIQPSA-N 266.385 2.636 30 50 CFEA C=CC[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)N(C)C 43199070 FIATUWHWTOJPRQ-FZMZJTMJSA-N 292.335 2.646 30 50 CFEA Cc1nc(NO[C@@H](CO)C2CCCC2)c(Cl)cc1C#N 1875279024 OIEMVEFPAIRZJB-ZDUSSCGKSA-N 295.770 2.810 30 50 CFEA CCN(CC)/C(C)=N\S(=O)(=O)c1ccc(Cl)cc1 11612229 ZKCKSLQRTIKOKV-UVTDQMKNSA-N 288.800 2.789 30 50 CFEA CCOC(=O)c1c(/N=C/N(C)C)sc2c1CCC2 100840260 AEZXGOOZIUWETC-RIYZIHGNSA-N 266.366 2.635 30 50 CFEA Cn1cccc1CN[C@H]1CCCN(c2ccccc2C#N)C1 119159804 SAPHIGDANLSRMV-INIZCTEOSA-N 294.402 2.655 30 50 CFEA CC1(C)CCC[C@]1(O)C/N=C(/O)C[C@@H]1CCCC(O)=N1 329531621 WOZFHHIIUDDTSX-NHYWBVRUSA-N 282.384 2.783 30 50 CFEA C[C@]1(/N=C(/O)Cc2cncs2)CCO[C@@H]1C1CC1 329957053 LPSIXCZZLLTLTF-OLZOCXBDSA-N 266.366 2.600 30 50 CFEA C[C@@H]1C=CC=C[C@@H]2[C@H](C=C1)C(C#N)(C#N)C2(C#N)C#N 254430477 VROSBNGGMQNCCD-MCIONIFRSA-N 260.300 2.618 30 50 CFEA C#CCN(C)C(=O)Nc1ccccc1OCC(F)(F)F 170616980 PNQLBZSFVMUPJP-UHFFFAOYSA-N 286.253 2.725 30 50 CFEA CC1(C)OB(c2cccc([Si](C)(C)C)c2)OC1(C)C 196874967 PNFABLYULYBMJL-UHFFFAOYSA-N 276.261 2.531 30 50 CFEA Cc1c(Cl)cnc(N2CCC[C@@H]2c2cc[nH]n2)c1C#N 376383787 KTFGNKTUEVUGSD-CYBMUJFWSA-N 287.754 2.980 30 50 CFEA C[C@]1(C#N)CCCN(Cc2cccc(C(=O)O)c2)C1 670445448 CPIGEUGQDSCKLE-OAHLLOKOSA-N 258.321 2.510 30 50 CFEA C=CCN(CC=C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 258591 MWVPQDLHBJJTSO-UHFFFAOYSA-N 260.293 2.717 30 50 CFEA N#Cc1sc2nc(-c3cccnc3)ccc2c1N 333348 IIQWLEUVSYGKCY-UHFFFAOYSA-N 252.302 2.812 30 50 CFEA C=CCn1nnnc1NCc1ccc(-c2ccc(F)cc2)o1 4943012 PTUMBGISHCJGFW-UHFFFAOYSA-N 299.309 2.870 30 50 CFEA C=CCNc1ccccc1C(=O)N(C)CCCn1cccn1 55343372 KPGHCYWEEONJNA-UHFFFAOYSA-N 298.390 2.643 30 50 CFEA COc1cc(OC)cc([C@H](O)CNc2ccc(C#N)cc2)c1 118384411 DMUNLYKQXOWVSB-QGZVFWFLSA-N 298.342 2.721 30 50 CFEA Cc1noc([C@H]2CCCN(c3c(C#N)cccc3C#N)C2)n1 302471313 UHWYDJXTSNZQNX-AWEZNQCLSA-N 293.330 2.505 30 50 CFEA Cc1ccc(CO/N=C/c2c(O)cc(C)oc2=O)cc1 3104933 CCGXRZZXIPUYFP-LZYBPNLTSA-N 273.288 2.513 30 50 CFEA N#Cc1cc(Cl)ccc1N1CC[C@](O)(C2CC2)C1 336095049 DUBKMVUIUAYEBX-CQSZACIVSA-N 262.740 2.563 30 50 CFEA CCC(C)(C)c1noc(-c2ccc(C#N)nc2C)n1 1875286653 ZJBCPSQCUYXXRV-UHFFFAOYSA-N 256.309 2.999 30 50 CFEA N#Cc1ccc(N2CCC[C@H](c3ccc(O)cc3)C2)nc1N 1875294167 CECQARXEVSEHPC-AWEZNQCLSA-N 294.358 2.625 30 50 CFEA O=C([C@@H]1CO1)N1CCC[C@@H]1C[C@H]1CCCc2ccccc21 1875373216 WIUZBUMMBUYFFW-INMHGKMJSA-N 285.387 2.886 30 50 CFEA CCN(CC)c1ccc(/C=N/n2c(C)nnc2C)cc1 228471 LNNVQHGMDRAUEZ-LFIBNONCSA-N 271.368 2.623 30 50 CFEA OC[C@H]1C=C[C@@H](/N=C(/O)[C@H]2CCCCN2C2CCCC2)C1 330296201 JYJJARJWSLOODZ-SQWLQELKSA-N 292.423 2.677 30 50 CFEA CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)CCC2 1430826 HBTGOSIMNDYJOC-LBPRGKRZSA-N 285.343 2.696 30 50 CFEA CCCc1nnc2sc(-c3ccccc3C#N)nn12 71761962 ZHWJRVKBFCOHEJ-UHFFFAOYSA-N 269.333 2.677 30 50 CFEA N#Cc1ccc(NCc2ccn(C3CCCC3)n2)nc1 154736936 YWJGHEOLWGGSLJ-UHFFFAOYSA-N 267.336 2.877 30 50 CFEA CC(C)c1cccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)c1 132213226 MMCLBNFERFBVDR-LBPRGKRZSA-N 287.363 2.509 30 50 CFEA C[C@@H]1CCC[C@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C1 298486799 WPDFAPJWHMIZRH-PBHICJAKSA-N 299.418 2.685 30 50 CFEA C#CCCC1(CCC(=O)N2CC[C@@H]3CCC[C@@H]32)N=N1 952880447 BEUOCEPISKIDKN-STQMWFEESA-N 259.353 2.743 30 50 CFEA C=CC(=O)N(Cc1cc(C#N)n(C)c1)CC(C)(C)CC 1875381712 FIFCDBBTXOOOCO-UHFFFAOYSA-N 273.380 2.848 30 50 CFEA CC#CCNC(=O)Nc1ccc(OCc2cccnc2)cc1 170604262 XWVUVAADOKYFBJ-UHFFFAOYSA-N 295.342 2.805 30 50 CFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)Cc1ccoc1C 281005586 OEYRSDGMWKJDLS-HIFRSBDPSA-N 292.379 2.711 30 50 CFEA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cccnc1 12585523 DFXQMCHHZQLWHB-VMPITWQZSA-N 254.245 2.886 30 50 CFEA COc1ccc(/C=C/C(=O)C2(O)CCCCC2)cc1OC 110756 KBSFYPWOTOJFHP-VQHVLOKHSA-N 290.359 2.981 30 50 CFEA biogenic FC(F)C(F)(F)OCCOC(F)(F)C(F)F 59059453 WVRJJXQSRCWPNS-UHFFFAOYSA-N 262.096 2.735 30 50 CFEA N#Cc1ccc(N2CCN(CCCCCF)CC2)cc1 244691611 JFWOTYZCDLZDHL-UHFFFAOYSA-N 275.371 2.820 30 50 CFEA Cc1cc(/C=N/O)c(C)n1-c1ccc(N(C)C)cc1 176949 GANXSDYZUKEOFA-MHWRWJLKSA-N 257.337 2.968 30 50 CFEA C=CCC(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 11956593 MTZKYJIKGTYDRQ-GFCCVEGCSA-N 280.318 2.944 30 50 CFEA CCOC(=O)[C@@H]1CC/C(=C/B2OC(C)(C)C(C)(C)O2)C1 1772716389 MZAWJGSRWQPSDD-NLYDNYMLSA-N 280.173 2.907 30 50 CFEA C#C[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CCCO1 775428355 NCIVBKAKCCAAHV-QWHCGFSZSA-N 296.729 2.781 30 50 CFEA Cn1ccc(CNc2cc(Br)ccc2C#N)n1 123378631 CLPCQSQNTTVUKV-UHFFFAOYSA-N 291.152 2.666 30 50 CFEA C=CCn1c2ccccc2n2c(C(=O)OCC)c(C)nc12 305199 YMCDSYLQHNLXKN-UHFFFAOYSA-N 283.331 2.960 30 50 CFEA CN(C)C(=S)S/C=C/C(=O)c1ccccc1 2800950 ORWLXYJFWRBEQP-CMDGGOBGSA-N 251.376 2.963 30 50 CFEA C=CCOc1ccc(CNCc2ccncc2)cc1 4413601 IZUUKXPARZMZRK-UHFFFAOYSA-N 254.333 2.936 30 50 CFEA Cc1cc(C#N)nc(N[C@H](C)c2ccc3c(c2)OCCO3)n1 287154528 YEVAJWAUHMDYQB-LLVKDONJSA-N 296.330 2.601 30 50 CFEA C=CCn1c(=S)[nH]c2sc3c(c2c1=O)CCC3 349460 SRKGQOMPUYHFAP-UHFFFAOYSA-N 264.375 2.795 30 50 CFEA in-vitro N/C(=N\OC(=O)c1ccc2ccccc2c1)c1cccnc1 18161708 FPRRXCNSGMDHDM-UHFFFAOYSA-N 291.310 2.712 30 50 CFEA C=C/C(O)=N/[C@@H]1C[C@H](OCC)[C@@H]1Oc1ccccc1 328596805 AEAGMXGJVDAIAK-VNHYZAJKSA-N 261.321 2.754 30 50 CFEA CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(CC)n[nH]1 123120305 ACMKYVHGCOHERL-UHFFFAOYSA-N 296.374 2.896 30 50 CFEA Cc1nc[nH]c1-c1cc(C(C)(C)C)nc(N)c1C#N 71738533 LFRFSACGTWPHMX-UHFFFAOYSA-N 255.325 2.532 30 50 CFEA CC1(C)COB(c2cccc(Cl)c2Cl)OC1 230549184 QYQGNYXTDHGRHB-UHFFFAOYSA-N 258.941 2.762 30 50 CFEA C=CCN(C(=O)NCc1ccc(F)c(C)c1)C1CC1 271340950 CCNHJIDBFJIMNC-UHFFFAOYSA-N 262.328 2.994 30 50 CFEA N#Cc1ccc(N2CCC[C@@H](c3ccc(O)cc3)C2)nc1N 1875294168 CECQARXEVSEHPC-CQSZACIVSA-N 294.358 2.625 30 50 CFEA CC#CC(=O)N[C@H](C)c1ccc2nc(C3CC3)[nH]c2c1 1875367482 GUTYIOHSFWQFAY-SNVBAGLBSA-N 267.332 2.641 30 50 CFEA Cc1cc(C)n2nc(S[C@@H]3CC[C@H](C#N)C3)nc2n1 278528568 HZGAISCIBZVRBL-WDEREUQCSA-N 273.365 2.526 30 50 CFEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccoc1C 281005583 OEYRSDGMWKJDLS-DZGCQCFKSA-N 292.379 2.711 30 50 CFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1sccc1C 281881804 TZACXGYNRKHKKS-OCCSQVGLSA-N 294.420 2.837 30 50 CFEA Cc1c(C(=O)N2CCCCCCC2)cnn1CCC#N 585126189 RLAZJCKZWLHPET-UHFFFAOYSA-N 274.368 2.512 30 50 CFEA N#Cc1c(NC(=O)c2ccncc2)sc2c1CCC2 1053709 JTIXKECNYKAYAQ-UHFFFAOYSA-N 269.329 2.756 30 50 CFEA CC#CC(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1 801134857 KLXQHOXJNZPKRH-UHFFFAOYSA-N 296.326 2.522 30 50 CFEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 101051199 KJXWUOSFKJBGMD-SGMGOOAPSA-N 264.346 2.665 30 50 CFEA CC1(C)N/C(=C/C(=O)c2ccccc2)C(C)(C)N1[O] 100074202 VMDRIIAKSZJYMP-JLHYYAGUSA-N 259.329 2.519 30 50 CFEA Cc1ccc(S(=O)(=O)OC2[C@H]3C=CC=C[C@H]2C=C3)cc1 101046095 KQNWUWWVRKZYTM-KBPBESRZSA-N 288.368 2.997 30 50 CFEA C=CCC[C@H](NC(=O)N1CCC[C@H](O)C1)c1ccccc1 131076915 GQLHSVQCBMHVPA-HOTGVXAUSA-N 288.391 2.860 30 50 CFEA CC(C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 405035990 RXVNGGUZQHNTQO-UHFFFAOYSA-N 289.184 2.580 30 50 CFEA CCCc1c(C#N)c(N)nc2c1Cc1c(O)cccc1-2 71753712 NOCYKQPKPFBLDR-UHFFFAOYSA-N 265.316 2.765 30 50 CFEA Cc1cc(C#N)nc(N[C@@H](C)c2ccc3c(c2)OCCO3)n1 287154531 YEVAJWAUHMDYQB-NSHDSACASA-N 296.330 2.601 30 50 CFEA Cc1ccc(S(=O)(=O)N/N=C2\CCCCC23CC3)cc1 43761485 BCVVGFUSECESPB-JQIJEIRASA-N 292.404 2.984 30 50 CFEA CCCCCCCCCCCC(=O)OC(CO)CO 85576165 ZUCMOZYYSZYRRM-UHFFFAOYSA-N 274.401 2.804 30 50 CFEA in-vitro N#Cc1cc(Br)ccc1OC1CCOCC1 95627637 XMUKPYGCDWSDLY-UHFFFAOYSA-N 282.137 2.879 30 50 CFEA Cc1nc(C#N)c(NC[C@H](C)N2C[C@@H](C)C[C@@H](C)C2)o1 826802940 RIQXBPIJTDYXDB-TUAOUCFPSA-N 276.384 2.633 30 50 CFEA C=CCC1(CSc2nnc3nc[nH]n23)CCCC1 1775991490 MSWQJISNDGOYDQ-UHFFFAOYSA-N 263.370 2.681 30 50 CFEA CC(C)c1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)on1 225495475 BMONUNDFAQBOFU-CYBMUJFWSA-N 275.352 2.952 30 50 CFEA Cc1ccc(/C=C2/C(=O)c3ccc(C(=O)O)cc3C2=O)o1 13113455 HFBPGPCQLGTIFM-QPEQYQDCSA-N 282.251 2.749 30 50 CFEA Cc1ccsc1[C@H]1C2=C(CCCC2=O)Nc2ncnn21 13125249 OEWNODJZAJDYNA-GFCCVEGCSA-N 286.360 2.670 30 50 CFEA COc1ccc([C@@H](C#N)c2ccc(Cl)nn2)cc1 169375 BNXJYNKMIAFMGY-LLVKDONJSA-N 259.696 2.794 30 50 CFEA CC#CC(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 283920730 YGFVNKVIGZBZLK-LSDHHAIUSA-N 275.323 2.528 30 50 CFEA O=C1C=C[C@H](O)O[C@H]1c1ccc(-c2ccccc2)cc1 71772345 YQKGLCAKZGUEOB-SJORKVTESA-N 266.296 2.869 30 50 CFEA Cc1ccc(C#N)c(N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)n1 95511744 ODZHSYPBAQMLMH-NVXWUHKLSA-N 296.418 2.572 30 50 CFEA COc1cc([C@H]2CC(=O)C=C(O)C2)cc(OC)c1OC 4095471 ABEYUAPZLMUNMU-SECBINFHSA-N 278.304 2.601 30 50 CFEA CCOc1ccc(NC(=O)NCCCSC)cc1C#N 96140844 FDGSYYFXPBBAFK-UHFFFAOYSA-N 293.392 2.832 30 50 CFEA C=CC[C@]1(CO)CCCN(Cc2ccccc2C(=O)O)C1 92107126 HRDSSFYTWMFYAK-KRWDZBQOSA-N 289.375 2.535 30 50 CFEA CC1(C#N)CCN(C[C@@H]2CCOC(C)(C)C2)CC1 826679654 IVJOXLSHHDIULX-CYBMUJFWSA-N 250.386 2.817 30 50 CFEA N#Cc1cccc(NC(=O)N[C@@H](C(F)F)C2CC2)c1 1875253929 LGMLQGZBWJDBIW-LLVKDONJSA-N 265.263 2.723 30 50 CFEA CN(C)[C@@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 306602280 VTFPQICQYBBNII-GFCCVEGCSA-N 251.179 2.658 30 50 CFEA C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)CCCC#N 190926657 ROLKRFAYBFQLBB-SECBINFHSA-N 273.304 2.744 30 50 CFEA Cn1cc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1C#N 191503693 UKMUPCSPSBKKEF-SFHVURJKSA-N 293.370 2.528 30 50 CFEA CC(C)Oc1ccc(CCNC(=O)[C@@H](C)CC#N)cc1 585100275 OFBGADOKBYQCII-ZDUSSCGKSA-N 274.364 2.682 30 50 CFEA N#Cc1ccccc1CN1CCO[C@@H]2CCCC[C@H]21 230251111 SXQXYOWYQDTBAX-HZPDHXFCSA-N 256.349 2.702 30 50 CFEA N#Cc1cc(N2C[C@@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-] 123697496 ZXURDJSEQCBKJV-QWRGUYRKSA-N 257.293 2.703 30 50 CFEA CC#CC(=O)N(C)Cc1cnn(-c2cccc(Cl)c2)c1 1875363038 ZMHACXFNVWKYKY-UHFFFAOYSA-N 287.750 2.507 30 50 CFEA C#CCN(C)CC(=O)Nc1ccccc1Oc1ccccc1 170611963 RUPSECPIAHPMMH-UHFFFAOYSA-N 294.354 2.982 30 50 CFEA CSCCCN(C)C(=O)c1c(F)cc(C#N)cc1F 281021574 CMUPAFBSKJJYTF-UHFFFAOYSA-N 284.331 2.662 30 50 CFEA C=C(C)CN1CCN(C(=O)N[C@H](C)c2ccccc2)CC1 1506414137 OPPSVJLSJKCUMD-OAHLLOKOSA-N 287.407 2.651 30 50 CFEA CC[C@]1(/C=N/O)CCN(C(=O)OC(C)(C)C)C[C@@H]1F 1542053004 CVMQRCZJENWGDX-BSRRMSHZSA-N 274.336 2.822 30 50 CFEA Cc1cccc(/C(N)=N/OC(=O)CCc2ccccc2)c1 13130273 YZQZHGNONFWXCD-UHFFFAOYSA-N 282.343 2.791 30 50 CFEA C=CCNC(=S)Nc1cc(Cl)ccc1OC 8683637 FAKYRBRJVJXREE-UHFFFAOYSA-N 256.758 2.821 30 50 CFEA C=CC[C@@H](NC[C@@H](C)CCc1ccccc1)C(=O)O 426801185 SJVGYWFBEFDYLB-DZGCQCFKSA-N 261.365 2.874 30 50 CFEA Cc1ncncc1/C(O)=N/C[C@H]1CCO[C@@H]1C(C)(C)C 328611124 KNHTUBZFOZFWLR-YPMHNXCESA-N 277.368 2.541 30 50 CFEA C[C@]1(C#N)CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1 584894111 AQWOSKLLNIVAEF-QGZVFWFLSA-N 294.358 2.843 30 50 CFEA CC(C)C[N@]1C[C@H]1COc1cccc(Cl)c1C#N 1875379669 TYLCALGGOJLIHQ-APPDUMDISA-N 264.756 2.931 30 50 CFEA C=C(C)C[C@@H](C)C(=O)NCc1c(F)ccc2nc[nH]c12 585129000 UAWJRCBVOICUIF-SNVBAGLBSA-N 275.327 2.921 30 50 CFEA Cc1csc(C(=O)N[C@@H](C#N)C2CC2)c1Br 191467978 HCFGYJQISAKJNF-QMMMGPOBSA-N 299.193 2.851 30 50 CFEA CS(=O)(=O)Cc1ccc(C#CCC2CCCC2)nc1 1506396201 PSQAPIIGOOXSJR-UHFFFAOYSA-N 277.389 2.558 30 50 CFEA C=CCn1c(=S)[nH]c2sc(C)c(C)c2c1=O 2315048 UIDZXXIBHNLIGD-UHFFFAOYSA-N 252.364 2.923 30 50 CFEA in-vitro CC1=CC(C)(C)N2C(=O)/C(=N\O)c3c(C)ccc1c32 1848442395 BSQCUNRULKVUHH-VBKFSLOCSA-N 256.305 2.715 30 50 CFEA CC1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 112558596 LCPXITFTXXRSAF-UHFFFAOYSA-N 275.327 2.639 30 50 CFEA N#Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 453101 KMJNRRCBVOGZBY-UHFFFAOYSA-N 281.271 2.648 30 50 CFEA C=C(C)[C@@](C)(C#CCN1CCCCC1)OCCC#N 2932324 WHZSRZWBTZHUJD-MRXNPFEDSA-N 260.381 2.741 30 50 CFEA N#Cc1cc2c(nc1NC[C@@H](N)c1ccccc1)CCCC2 261954937 NWCCIPXKDVVYSK-MRXNPFEDSA-N 292.386 2.944 30 50 CFEA C#CCCC1(CCC(=O)N[C@H]2CCOC3(CCC3)C2)N=N1 952882087 LIFLLNKOMHRYBL-ZDUSSCGKSA-N 289.379 2.560 30 50 CFEA CC1(C)OB(c2ccc(F)c(Cl)c2)OC1(C)C 169986544 PFRXRUVRRFJIBF-UHFFFAOYSA-N 256.513 2.778 30 50 CFEA in-vitro N#Cc1cc(I)ccc1Cl 2567842 RXNOBNYCCAEGJD-UHFFFAOYSA-N 263.465 2.816 30 50 CFEA in-vitro C[C@H](/C(O)=N/C[C@@H]1CCC2(CCCCC2)O1)n1cncn1 330137247 HWXXOUYFDOZEFP-OLZOCXBDSA-N 292.383 2.678 30 50 CFEA Cc1ccc(S(=O)(=O)[C@@H](C=O)c2ccccc2)cc1 3122361 JFVOBSXXARFLDJ-HNNXBMFYSA-N 274.341 2.709 30 50 CFEA O=C1C[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 4488900 HYNXPNQARZFSFV-SNVBAGLBSA-N 275.735 2.951 30 50 CFEA C=C(C)CNC(=O)Nc1ccc(-c2cc[nH]n2)cc1 157386997 ZAXSZKZWOXJZQE-UHFFFAOYSA-N 256.309 2.774 30 50 CFEA CC(F)(F)C(C)(C)NC(=O)CNc1ccc(C#N)cc1 585126733 GZMIECQAVFBFAM-UHFFFAOYSA-N 281.306 2.520 30 50 CFEA Cn1ccc(-c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)n1 601969190 RKBOVOQRHHOMAT-UHFFFAOYSA-N 291.314 2.692 30 50 CFEA C=CCN(Cc1ccsc1)C(=O)c1ccc(C#N)nc1 1506403478 BTANCRQWYFQUAF-UHFFFAOYSA-N 283.356 2.843 30 50 CFEA C[C@H](CN(C)Cc1ccccc1C#N)CN1CCCC1 1529197825 XCTDULBSELOODH-OAHLLOKOSA-N 271.408 2.722 30 50 CFEA CC#CCCN1CCc2ccc(C(C)=O)cc2CC1 253429922 VTUNNYCRPAYWEH-UHFFFAOYSA-N 255.361 2.703 30 50 CFEA Cc1nn(Cc2ccccc2)c(C#N)c1Br 85224273 NRTCMOCVKZLIBI-UHFFFAOYSA-N 276.137 2.874 30 50 CFEA N#Cc1cc(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)c[nH]1 181353350 CWAQPVLYMQZOMG-UHFFFAOYSA-N 297.362 2.985 30 50 CFEA C#CCCC1(CCC(=O)Nc2cc3ccccn3n2)N=N1 952882474 MOCGPYBMJLLTIO-UHFFFAOYSA-N 281.319 2.629 30 50 CFEA C[C@@H]1CN=C(N/N=C/c2cc(-c3ccccc3)cs2)N1 1875258213 YJDYOJLUAUWCFG-LBFZPMSMSA-N 284.388 2.686 30 50 CFEA C=CCCCn1c(Cc2ccc(F)cc2)noc1=O 1875327605 BLNMHQHDKWLDHJ-UHFFFAOYSA-N 262.284 2.532 30 50 CFEA N#CCC(=O)Nc1ccc(Oc2ccc(CO)cc2)cc1 170599304 BOVMUCZSZXHSTG-UHFFFAOYSA-N 282.299 2.823 30 50 CFEA Fc1ccc(-c2nnc(S)n2/N=C/c2ccco2)cc1 5997375 VMMSXGFHCMVZHG-OVCLIPMQSA-N 288.307 2.848 30 50 CFEA C=CCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 13476516 JEJZMBONKMGLIM-DHZHZOJOSA-N 277.370 2.779 30 50 CFEA N#Cc1cncc(N2CCC(c3ncccc3Cl)CC2)n1 420613939 UTGUKLYGRGXXFQ-UHFFFAOYSA-N 299.765 2.781 30 50 CFEA C[C@@H]1CN(Cc2ccncc2C#N)Cc2ccccc2O1 592122163 GDEDARKXVPXKHH-CYBMUJFWSA-N 279.343 2.736 30 50 CFEA C=C(C)CN(C)C(=O)CC(=O)Nc1cc(C)cc(C)c1 55119552 UTRSPAILAQDCIE-UHFFFAOYSA-N 274.364 2.667 30 50 CFEA Cc1cccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)c1 9225532 OPLQJJPLUISTOO-MEDUHNTESA-N 294.358 2.855 30 50 CFEA CC(C)Oc1cncc(/C(O)=N/[C@@H](C)CC(C)(C)O)c1 331361008 YMWGXLKSCQTYSZ-NSHDSACASA-N 280.368 2.723 30 50 CFEA OCC#Cc1ccc(CNc2ccc3cn[nH]c3c2)s1 32580917 YGTJLULSRFTXMD-UHFFFAOYSA-N 283.356 2.580 30 50 CFEA CC(C)(C)OC(=O)n1cc(/C(N)=N/O)c2ccccc21 72284497 DTQUHRRGQQEASZ-UHFFFAOYSA-N 275.308 2.519 30 50 CFEA Cn1cc(C#N)c(NC(=O)c2cccc(-c3ccoc3)c2)n1 126813342 FFYABZYAVDQADJ-UHFFFAOYSA-N 292.298 2.804 30 50 CFEA N#Cc1cnccc1N1CCC[C@H](c2noc(C3CC3)n2)C1 373459716 GLESKOFIQUSTJR-LBPRGKRZSA-N 295.346 2.598 30 50 CFEA C=CC[C@]1(CO)CCCN(C(=O)C2(c3ccccc3)CC2)C1 91493895 NNWYTLSUIZEUNY-SFHVURJKSA-N 299.414 2.895 30 50 CFEA C=CC[C@]1(C(=O)OC)CCCN(C(=O)OC(C)(C)C)C1 90735423 GGRLBVMLDQSJRR-HNNXBMFYSA-N 283.368 2.753 30 50 CFEA in-vitro CC1(C)OB(c2ccc(Cl)c(F)c2F)OC1(C)C 169988678 KERWHSMECDFMFY-UHFFFAOYSA-N 274.503 2.917 30 50 CFEA Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)F)cc1 2530903 IMDNPHAMGJIKNV-UHFFFAOYSA-N 286.246 2.601 30 50 CFEA in-vitro O=C1C(Cl)=C(N2CCCC2)C(=O)c2ccccc21 41245 QWKZKEUBFVSTDB-UHFFFAOYSA-N 261.708 2.612 30 50 CFEA N#Cc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])c(F)c1 4841976 KSZJFWSCAJJLLP-UHFFFAOYSA-N 285.234 2.858 30 50 CFEA CCCc1n[nH]c2ccc(B3OC(C)(C)C(C)(C)O3)cc12 170007323 GWPAXCAQQCZFEM-UHFFFAOYSA-N 286.184 2.815 30 50 CFEA C=C1CCC[C@@]2(C)C[C@@]34O[C@@H]3C(=O)CC[C@@]4(C)C[C@@]12O 71786241 DRQXPAHUXFUVLH-DRRXZNNHSA-N 276.376 2.765 30 50 CFEA O=C1Nc2ccccc2N/C1=C/C(=O)c1cccs1 96316004 JYDAKFBJRTTXHA-DHZHZOJOSA-N 270.313 2.879 30 50 CFEA C#CCCC1(CCC(=O)NC[C@@H]2CCCC2(F)F)N=N1 952880702 HHAWIAGOKCXNEJ-NSHDSACASA-N 283.322 2.894 30 50 CFEA O=C([C@H]1CO1)N1CCC(Cc2ccc(Cl)cc2)CC1 1875372778 MKUPGYXQXCUSPJ-CQSZACIVSA-N 279.767 2.520 30 50 CFEA COc1cccc([C@H]2C[C@H](N(C)c3cncc(C#N)n3)C2)c1 563700434 NKVSIYLFULPULS-CTYIDZIISA-N 294.358 2.739 30 50 CFEA Cc1ccccc1C/C(O)=N/C[C@@H]1CCn2ccnc2C1 328626332 LONNVWHSWUQNCM-CQSZACIVSA-N 283.375 2.953 30 50 CFEA C=CCn1cc(CNCc2cncn2CC(C)C)c(C)n1 55283835 LETGEDYRVJJILL-UHFFFAOYSA-N 287.411 2.520 30 50 CFEA C(#Cc1ccccc1)CNCc1ccc2c(c1)OCO2 55174843 QHRPUMISCUNQQY-UHFFFAOYSA-N 265.312 2.557 30 50 CFEA C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc(F)c1 10339495 HFTGQWOCNDPRNF-VFZGTOFNSA-N 298.321 2.685 30 50 CFEA COc1ccnc2cc(B3OC(C)(C)C(C)(C)O3)ccc12 170002821 GBUVQENTQWYBAT-UHFFFAOYSA-N 285.152 2.543 30 50 CFEA CC1(C)OB(Cc2ccc([N+](=O)[O-])cc2)OC1(C)C 170008206 GLCKDKGFAXTSRO-UHFFFAOYSA-N 263.102 2.769 30 50 CFEA C=C/C(O)=N/C1CCN(CC(O)=Nc2ccccc2)CC1 328594497 OSAMAUXLLODRCF-UHFFFAOYSA-N 287.363 2.882 30 50 CFEA CC[C@@H]1CCN(/C(O)=N/CCc2cccc(C#N)c2)C1 330938033 BIZVBRLUQJSHAK-CYBMUJFWSA-N 271.364 2.747 30 50 CFEA C=CCn1nc(C)c(C(=O)N(CC)Cc2ccncc2)c1C 20785187 QDSVEXCPWDBDFE-UHFFFAOYSA-N 298.390 2.743 30 50 CFEA C=CCNC(=S)N1CCc2[nH]c3ccccc3c2C1 2200057 HNLYGYVJGHQBHY-UHFFFAOYSA-N 271.389 2.587 30 50 CFEA Cc1ccc(S(=O)(=O)OCC2C=CCC=C2)cc1 45069467 WEDUTXJYLXKJRG-UHFFFAOYSA-N 264.346 2.833 30 50 CFEA C=CC[C@@]1(C(=O)OCC)CCCN1C(=O)OC(C)(C)C 91361907 RGLGSNCDWXORJR-HNNXBMFYSA-N 283.368 2.895 30 50 CFEA C=CCNc1ncnc2sc(C(=O)OCC)c(C)c12 1915531 LAPJZYRMBBEWAX-UHFFFAOYSA-N 277.349 2.774 30 50 CFEA N#Cc1cnccc1C=Cc1cccc(OCCC(=O)O)c1 1857531809 GCYJFQBPROJXDA-UHFFFAOYSA-N 294.310 2.977 30 50 CFEA Cc1ccccc1[C@@H]1CCCN1c1cnc(C#N)cn1 133199703 COULTLIPRSTODB-HNNXBMFYSA-N 264.332 2.998 30 50 CFEA Cc1ccc(C)c(OCC(=O)O/N=C(\N)c2ccccc2)c1 4804090 NUDKYHXNMCAYAM-UHFFFAOYSA-N 298.342 2.546 30 50 CFEA CC(C)c1nnc(/N=C(\O)CN2CCC[C@H](C)C2)s1 20725712 RZMGFXAGPXNIBJ-JTQLQIEISA-N 282.413 2.981 30 50 CFEA Cc1ccc(C[N+]2C(=O)C(=NO)c3ccccc32)cc1 343516928 JDOLLRNKRUJNCL-UHFFFAOYSA-N 266.300 2.685 30 50 CFEA N#Cc1ccccc1CO[C@@H]1CCCc2c[nH]nc21 188927942 QAFPYHNSVUXIPT-CQSZACIVSA-N 253.305 2.876 30 50 CFEA CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 252490956 LGFSTRMBIHQMAO-UHFFFAOYSA-N 282.347 3.000 30 50 CFEA N#Cc1cc2c(nc1NC[C@@H]1CSCCS1)CCC2 228283773 DXPPFGSSINLYCL-GFCCVEGCSA-N 291.445 2.702 30 50 CFEA N#CCNC(=O)c1ccccc1Oc1ccccc1 2834785 GUXIKHQPMZDVSH-UHFFFAOYSA-N 252.273 2.732 30 50 CFEA C=CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C 4956590 OKJIZKAXRQGFGW-HUUCEWRRSA-N 298.386 2.818 30 50 CFEA N#Cc1ccc(C(c2ccc(C#N)cc2)n2cnnc2)cc1 21985205 BCTXUGAAOFIJGX-UHFFFAOYSA-N 285.310 2.659 30 50 CFEA in-vitro C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCCOCC1 333528567 XPHSGTNDWDHAJT-UKRRQHHQSA-N 286.375 2.894 30 50 CFEA C=CCn1cc(-c2cc(C(C)(C)C)nc(N)c2C#N)cn1 71749333 PFZKIUBPJJSNKJ-UHFFFAOYSA-N 281.363 2.882 30 50 CFEA Cc1nn(C(C)C)c(C)c1CNc1ccc(C#N)cn1 32593098 GKZWAULWGACOJR-UHFFFAOYSA-N 269.352 2.960 30 50 CFEA CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1ccc(C#N)cc1 71280119 OASWUCMKJJPJOH-LBPRGKRZSA-N 296.330 2.753 30 50 CFEA C[C@](O)(CNCc1ccc(C#N)o1)c1ccccc1Cl 156693796 KBXWBAMIJNIJOZ-HNNXBMFYSA-N 290.750 2.802 30 50 CFEA C=CCSCCNC(=O)N1CCC(C(F)(F)F)CC1 176240917 KWDNUZHXQNCDEG-UHFFFAOYSA-N 296.358 2.890 30 50 CFEA CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(Cl)n1 97454976 XMYHFDDVUXQKKW-QMMMGPOBSA-N 252.701 2.684 30 50 CFEA CC[C@H](NC(=O)c1ccc(C#N)nc1)c1cccc(C)n1 252510081 ZBCXEOITDUHCRS-AWEZNQCLSA-N 280.331 2.538 30 50 CFEA C#CCCC1(CCC(=O)Nc2cnc3ccccn23)N=N1 952883876 YXEWVDKRIJEKEN-UHFFFAOYSA-N 281.319 2.629 30 50 CFEA CCOC(=O)[C@H](C#N)c1ccc(F)cc1Br 1776010799 MYMBLHUYJPTEQM-SECBINFHSA-N 286.100 2.758 30 50 CFEA C=CC[C@H](C(=O)Nc1nnc2n1CCCC2)c1ccccc1 187686103 GEZBDHUZZDPBIK-AWEZNQCLSA-N 296.374 2.913 30 50 CFEA C=CCOc1ccc(OCCN2C[C@H](C)O[C@H](C)C2)cc1 16488737 IMQQVRLNIVVRFU-GASCZTMLSA-N 291.391 2.739 30 50 CFEA COc1cccc(N/C(S)=N/Cc2ccncc2)c1 8683566 RYEFXNWLXRIATB-UHFFFAOYSA-N 273.361 2.988 30 50 CFEA CC1CCC(NC=C2C(=O)CC(C)(C)CC2=O)CC1 100444303 RZVHVBJODVWSCQ-UHFFFAOYSA-N 263.381 2.997 30 50 CFEA Cc1ccnc(N2CCO[C@@]3(C[C@H]4CC[C@H]3C4)C2)c1C#N 374141777 IGPNGGGGWGCFKJ-ZQIUZPCESA-N 283.375 2.657 30 50 CFEA COc1ccc(-c2n[nH]cc2CN2CCC[C@H](C#N)C2)cc1 97711792 CNXONCBQPOBKBM-CYBMUJFWSA-N 296.374 2.821 30 50 CFEA CC(Cl)=NOC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 252430922 SXKGICHRSILUQU-UHFFFAOYSA-N 275.623 2.855 30 50 CFEA C[C@@]1(C#N)CCCN(Cc2cnc(N3CCCC3)s2)C1 670469187 UEXXFCLRXROBPY-HNNXBMFYSA-N 290.436 2.869 30 50 CFEA CC(=O)C1=Cc2cccc(Br)c2OC1 675081827 OIATYMNGJSCDTN-UHFFFAOYSA-N 253.095 2.814 30 50 CFEA CC1(C)OB(c2cccc(CN=[N+]=[N-])c2)OC1(C)C 169745991 KTDQTYXZPDJNDC-UHFFFAOYSA-N 259.118 2.796 30 50 CFEA in-vitro C#Cc1ccc(C(=O)NC(C)(C)CCCN(C)C)cc1 585121895 FAWQQJVVPDEPPE-UHFFFAOYSA-N 272.392 2.518 30 50 CFEA CC#CC(=O)Nc1cccc(C(=O)OC(C)(C)C)c1 844106080 HZNUOYJCDDGJGN-UHFFFAOYSA-N 259.305 2.604 30 50 CFEA CCCC(=O)[C@@H]1C(=O)CC(C)(C)C/C1=N\OCC 4730286 PFEDERZXNLGIFA-QQFZQELXSA-N 253.342 2.753 30 50 CFEA N/C(=N\OC(=O)CCCOc1ccccc1)c1ccccc1 4985936 MKNLBAAYTVOHKM-UHFFFAOYSA-N 298.342 2.709 30 50 CFEA CSC[C@@H]1CCCN1C(=O)/C=C/c1cccc(C#N)c1 123563260 GFKSFVXVMNSURG-KIUWMYQTSA-N 286.400 2.925 30 50 CFEA CCc1cc(N2CCC(C#N)CC2)n2nc(C)c(C)c2n1 72462717 QTBQGGOONUCFHS-UHFFFAOYSA-N 283.379 2.649 30 50 CFEA N#Cc1ccncc1N1CC[C@]2(C1)OCc1ccccc12 372224435 YGWGXSBLHMKYBV-QGZVFWFLSA-N 277.327 2.589 30 50 CFEA COCC[C@H]1CCCCN(C(=O)c2cc(C#N)oc2C)C1 375627695 KFNZELWVIIWEOR-CYBMUJFWSA-N 290.363 2.739 30 50 CFEA C[C@@H](NCC1(C#N)CCC1)c1cccc(N2CCOCC2)c1 585134818 KTBIAIRYODWDFJ-OAHLLOKOSA-N 299.418 2.868 30 50 CFEA CCCOc1ccc(C(=O)/C=C/c2ncnn2C)cc1 585135921 ISWZASVIBCIMRJ-CMDGGOBGSA-N 271.320 2.500 30 50 CFEA COc1cc(-c2cccc(C(=O)O)c2)ccc1C#N 583146383 XGOGJLLFJUTUHB-UHFFFAOYSA-N 253.257 2.932 30 50 CFEA C[C@H]1C[C@@H](CN2CCC(C#N)(c3ccccn3)CC2)CCO1 548791957 ZNITUJDVWZBBPT-HOTGVXAUSA-N 299.418 2.754 30 50 CFEA CN1Cc2c(c(C#N)c(N)sc2=S)CC1(C)C 19204578 ODMSIGLMMHCLIU-UHFFFAOYSA-N 265.407 2.698 30 50 CFEA C[C@@H]1CC[C@@H]2CNC(=NC[C@@H]3CCC34CCC4)N2C1 2325864229 JPUNPXWAERMZPY-HZSPNIEDSA-N 261.413 2.626 30 50 CFEA C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)F 1847430 PLXOUIVCSUBZIX-UHFFFAOYSA-N 254.101 2.549 30 50 CFEA COc1cccc(NC=C2C(=O)CC(C)(C)CC2=O)c1 257508 JQXRKWGJHWGHCF-UHFFFAOYSA-N 273.332 2.949 30 50 CFEA C=CC[C@H](CC)NC(=O)NC[C@@H]1CCO[C@@H]1C(C)C 253426342 FIBSMCAPNNEBKB-MELADBBJSA-N 268.401 2.701 30 50 CFEA C[C@@H](c1nncn1C)N1CC=C(c2ccc(C#N)cc2)CC1 367874099 KZIJDNAWWSTRKD-ZDUSSCGKSA-N 293.374 2.537 30 50 CFEA N#Cc1cc(C(=O)O)cc(C(F)F)c1Br 263624840 UPUASEPYKDCXFO-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA CC(C)(C)c1nn(Cc2cccnc2)c(O)c1CCC#N 193674810 XZMJYFOLNILTBC-UHFFFAOYSA-N 284.363 2.786 30 50 CFEA CC1(C)OB(c2sccc2C2CC2)OC1(C)C 307603904 UUGGEKVAYXXDAY-UHFFFAOYSA-N 250.172 2.925 30 50 CFEA CC/C=N/c1c(O)cc(-c2ccccc2)n(C)c1=O 17141278 NFXKFEMSJURXSR-CXUHLZMHSA-N 256.305 2.870 30 50 CFEA Cc1ccc(/C(=N\C(N)=S)NCc2ccccc2)cc1 2454755 YANVMNUMAIZEQU-UHFFFAOYSA-N 283.400 2.775 30 50 CFEA N#Cc1cc[n+](CC(=O)c2cccc3ccccc23)cc1 6342407 PFVGRTSGULFQIM-UHFFFAOYSA-N 273.315 2.882 30 50 CFEA C#CC[C@@H](OC(C)=O)c1ccccc1[C@@H](CC#C)OC(C)=O 6761529 GHEVBJNUBWNGLV-QZTJIDSGSA-N 298.338 2.942 30 50 CFEA CN(C)/C=C/C(=O)c1ccc(Oc2ncccn2)cc1 1398420 POUFCTIUPAXZJZ-DHZHZOJOSA-N 269.304 2.527 30 50 CFEA CC(C)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 404936234 DTYSXQCMDQRNQS-UHFFFAOYSA-N 289.184 2.580 30 50 CFEA CC#CCCCC(=O)N1CCC([C@@H]2CCCOC2)CC1 368769773 JGTZGBMLDJQCMT-MRXNPFEDSA-N 277.408 2.845 30 50 CFEA CCCC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 228893737 FGCWBVRDMONMTI-UHFFFAOYSA-N 281.205 2.871 30 50 CFEA C=CC[C@@]1(CO)CCCN(Cc2n[nH]c(C)c2Cl)C1 91677404 PZGJADIDZHBFQK-CQSZACIVSA-N 283.803 2.522 30 50 CFEA C#CCCC1(CCC(=O)NC2CC(C(F)(F)F)C2)N=N1 952882852 YFCASSWATDWTHO-UHFFFAOYSA-N 287.285 2.799 30 50 CFEA Cc1ccc([C@@H](CCCC#N)N[C@H]2CCC(=O)N(C)C2)cc1 225633619 QEXVTOQNNYZNNW-DLBZAZTESA-N 299.418 2.940 30 50 CFEA CC(C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC[C@H](C)C#N 1614974066 DCJSYVMARNMFHQ-AGIUHOORSA-N 283.416 2.673 30 50 CFEA Cc1ccccc1NC1=C(N)C(=O)c2ccccc2C1=O 19854173 XNJYTYBASIFPCP-UHFFFAOYSA-N 278.311 2.656 30 50 CFEA CCO/C(C)=N/OS(=O)(=O)c1c(C)cc(C)cc1C 2534770 KQCBSWBQAXTILK-WYMLVPIESA-N 285.365 2.687 30 50 CFEA in-vitro C=CCNS(=O)(=O)c1ccc(Cl)c2ccccc12 36638835 KNZFDPQCZCAZBZ-UHFFFAOYSA-N 281.764 2.958 30 50 CFEA C=CCc1c(C)nc(N)nc1N[C@@H](C)c1cccc(C)n1 95375779 LMXLNAMPJLGFRI-LBPRGKRZSA-N 283.379 2.972 30 50 CFEA Cc1ccnc(/N=C/c2c(C)[nH]n(-c3ccccc3)c2=O)c1 252538007 MNQAQRHPTALBGD-YBFXNURJSA-N 292.342 2.928 30 50 CFEA Cc1nc(-c2cccc(F)c2F)c(C#N)cc1C(=O)O 534658782 LUQACKXCWKGNQV-UHFFFAOYSA-N 274.226 2.905 30 50 CFEA N#Cc1cccc2c1CN(Cc1cccc3c[nH]nc13)C2 1875344039 CFRORMLUEFLVJZ-UHFFFAOYSA-N 274.327 2.950 30 50 CFEA CCOc1cc(C#N)ccc1OCc1cnc(Cl)cn1 170610417 ZQYSLJCSQZIABJ-UHFFFAOYSA-N 289.722 2.979 30 50 CFEA Cc1ccc(CN2CCN(/N=C/c3cccnc3)CC2)cc1 19834044 NGJTVXIBVGPTKY-XSFVSMFZSA-N 294.402 2.542 30 50 CFEA COc1cc(/C=N/N(C)c2ccccc2)ccc1O 4985185 AMZSDOVHMZVCSI-LFIBNONCSA-N 256.305 2.871 30 50 CFEA C=CCc1cc(C)cc(C)c1OCCN1CCOCC1 20639760 VCHDWKQJOOJSGM-UHFFFAOYSA-N 275.392 2.743 30 50 CFEA Cc1ccc(CN2CCN(/N=C/c3ccco3)CC2)cc1 33284387 STQVDROTNWCOAX-QGOAFFKASA-N 283.375 2.740 30 50 CFEA C=CC[C@H](C(=O)NCc1cnoc1C)c1ccccc1 1304111162 KPKYOODNPSIUIE-HNNXBMFYSA-N 270.332 2.959 30 50 CFEA CCc1nnc(C[C@@H]2CC[C@H](Nc3cccc(C#N)n3)C2)o1 1775957669 HGKZGHDTJPFTDD-NEPJUHHUSA-N 297.362 2.722 30 50 CFEA Cc1cccc(Cl)c1S(=O)(=O)N[C@]1(C#N)CC1(C)C 332011189 TVSYUDDTRQLBPJ-ZDUSSCGKSA-N 298.795 2.619 30 50 CFEA Oc1ccccc1/C=N/n1c(-c2ccco2)n[nH]c1=S 1245565 UTSINLBKLUUSFO-RIYZIHGNSA-N 286.316 2.788 30 50 CFEA O=C1/C(=C/c2ccc(O)cc2)Oc2cc(O)ccc21 13481340 KEZLDSPIRVZOKZ-AUWJEWJLSA-N 254.241 2.714 30 50 CFEA endogenous,in-man O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1cccnc1 17188035 FVLXAEXRZJMEIS-SREVYHEPSA-N 254.245 2.886 30 50 CFEA C=C(C)Cn1c([C@@H](C)NC(C)=O)nc2ccccc21 2601762 AJWYNOIGGGJHJD-LLVKDONJSA-N 257.337 2.810 30 50 CFEA CCc1nc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)co1 123603223 MUPHFNWBHCLQKT-GFCCVEGCSA-N 297.314 2.507 30 50 CFEA CC(C)c1nn(C)cc1N=C(O)c1csc2cncn12 330087351 SYKKLGWXSGNDKF-UHFFFAOYSA-N 289.364 2.889 30 50 CFEA C=CCc1cc(CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)ccc1OC 426535043 CZPJLOJDTAQGON-USTZCAOPSA-N 298.430 2.606 30 50 CFEA C=C(CC(C)C)c1nc(C(C)(C)NC(C)=O)no1 1615586283 SGBDGQMHEVRDGM-UHFFFAOYSA-N 251.330 2.500 30 50 CFEA C=C(C)C(C)(C)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 424838056 UVMSHKDUSGLYTH-AWEZNQCLSA-N 299.374 2.535 30 50 CFEA CCCCCCCSc1n[nH]c(=O)[nH]c1=S 1799356 NKWRBEDQEPQZIW-UHFFFAOYSA-N 259.400 2.890 30 50 CFEA N#CCSc1nc2ccccc2c(=O)n1Cc1ccco1 2833738 DSNFTNPGEUEEAC-UHFFFAOYSA-N 297.339 2.653 30 50 CFEA Cc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)cc1 4435791 JEHBJGIKFQURKT-MEDUHNTESA-N 294.358 2.855 30 50 CFEA C=C(C)COc1ccccc1CNCCc1c[nH]cn1 55245072 QDBOEEIUJFFMKS-UHFFFAOYSA-N 271.364 2.697 30 50 CFEA CCC(N[C@@H](C)CC)=C1C(=O)CC(C)(C)CC1=O 100467021 BUEXENNJVFWMKI-JTQLQIEISA-N 251.370 2.997 30 50 CFEA CN(Cc1ccc(F)cc1C#N)C[C@H]1CCc2nccn2C1 328643519 RIKVHQDZIGXHJJ-CYBMUJFWSA-N 298.365 2.588 30 50 CFEA N#CCc1nn(-c2ccccc2)c(-n2cccc2)c1C#N 150140 YYZIOENFXKNLSW-UHFFFAOYSA-N 273.299 2.601 30 50 CFEA CC(C)[C@@H]1OCCC[C@H]1CNc1ccc(C#N)nc1 267648656 LTUPEGNBJAUPHR-WFASDCNBSA-N 259.353 2.816 30 50 CFEA COc1ccccc1N1CC[C@H](Nc2ncccc2C#N)C1 268191721 FCFFEOMUGSGWCZ-AWEZNQCLSA-N 294.358 2.653 30 50 CFEA O=C1C=C[C@]2(CCCO2)[C@@H]2[C@H]1[C@H]1O[C@H]2c2ccccc21 257358893 XAAVGILRPJBJBE-BQJWPVKWSA-N 268.312 2.733 30 50 CFEA C=C[C@H](C)OC(=O)c1cnc(-c2ccncc2)s1 187631559 JOWKTLVSCLQEJT-VIFPVBQESA-N 260.318 2.936 30 50 CFEA C=C[C@H](CC(=O)N(OC)[C@@H](C)CC(=O)O)c1ccccc1 1602813307 VKLHCVZKZOEJKN-QWHCGFSZSA-N 291.347 2.600 30 50 CFEA Cc1noc(C)c1NC(=O)[C@]1(C#N)CCc2ccccc2C1 1615049657 CWYXYHQRIMFGKI-QGZVFWFLSA-N 295.342 2.929 30 50 CFEA CC(C)(C)COc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 169993035 DYGKFLLLHNGCLM-UHFFFAOYSA-N 291.200 2.806 30 50 CFEA COc1cccc([C@@H]2CCN2C(=O)c2ccc(C#N)nc2)c1 1857682164 QWSGREJHLLYRKV-INIZCTEOSA-N 293.326 2.549 30 50 CFEA Cn1cc(C/N=C(/O)N2[C@H]3CC[C@H]2c2ccccc23)cn1 329790353 TTXCPOMJWOVWMC-GJZGRUSLSA-N 282.347 2.726 30 50 CFEA C=CCN(CC=C)C(=O)Nc1ccc(OC)cc1OC 610655 UHDCVFFXGQXZKA-UHFFFAOYSA-N 276.336 2.910 30 50 CFEA COc1ccc(/C(N)=N/OC(=O)CCC2CCCC2)cc1 4808885 ATRJJSIZZBQAGM-UHFFFAOYSA-N 290.363 2.829 30 50 CFEA C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 4949283 ZPMCRUWNTJSZDI-GHXNOFRVSA-N 264.241 2.701 30 50 CFEA C[S@](=O)c1sc(C#N)c2c1C(=O)CC(C)(C)C2 34171161 FCOHQTUMMOCTIC-QGZVFWFLSA-N 267.375 2.512 30 50 CFEA CC[C@@H](NC(=O)c1ccc(C#N)cc1)c1cccnc1 223383110 VUWBRDZEEYKCBM-OAHLLOKOSA-N 265.316 2.834 30 50 CFEA CCOC(=O)c1csc(C(=O)/C=C/C(C)C)n1 96503393 ZCMCSYZGDZAHMF-AATRIKPKSA-N 253.323 2.715 30 50 CFEA CC#CC(=O)N[C@@H](C)c1nc2c(s1)CCCCC2 1875370532 SJUGBLUMNYGNQE-JTQLQIEISA-N 262.378 2.613 30 50 CFEA N#C[C@H]1C[C@@H]1CN1CCC(OCc2ccccc2F)CC1 888096251 OXYZTIGAJYDQCX-HUUCEWRRSA-N 288.366 2.966 30 50 CFEA C=CCN[C@H](C)c1ccc(-n2cncn2)cc1Cl 225475861 CPVOHIPRPAQPSR-SNVBAGLBSA-N 262.744 2.757 30 50 CFEA C=C[C@@H]1CCN(C(=O)CSc2nc(C)cs2)C1 1506400071 SYQLDDGZMYLIJB-SNVBAGLBSA-N 268.407 2.578 30 50 CFEA Cc1nc(-c2cccnc2)sc1C(=O)/C=C/N(C)C 1402761 MZSWCPCDPKYFKE-SOFGYWHQSA-N 273.361 2.772 30 50 CFEA CCOc1ccc(I)cc1C#N 470555 DQRZMBVPQBLMBH-UHFFFAOYSA-N 273.073 2.562 30 50 CFEA S[C@@H]1NCN(C2CCCCC2)CN1c1ccccc1 217039651 BYFLVGJVPACZGZ-OAHLLOKOSA-N 277.437 2.859 30 50 CFEA C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)n1cnc2ccccc21 267953482 CANDXBKKNPTQFI-FZMZJTMJSA-N 284.363 2.652 30 50 CFEA C#CCN(CCF)C(=O)c1ccc(-c2ccncc2)cc1 1875349863 QDAXIBDYAFCYSM-UHFFFAOYSA-N 282.318 2.794 30 50 CFEA C=C(C)C[C@H](C)C(=O)N[C@@H](c1csc(C)n1)[C@H](C)O 585126872 KFVDAIRXSLWZHY-OUJBWJOFSA-N 282.409 2.592 30 50 CFEA Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2OC(F)F)[nH]n1 6382214 ZXBPOHWXBBOFNA-GIDUJCDVSA-N 296.233 2.978 30 50 CFEA CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC 283264423 VHJFUGDSTIDBOJ-UHFFFAOYSA-N 269.352 2.683 30 50 CFEA CCC(C)(C)c1cc(-c2cnn(C)c2C)c(C#N)c(N)n1 71750927 SZPCKPZJMGJGHB-UHFFFAOYSA-N 283.379 2.932 30 50 CFEA C=C(C)COCCN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 242302288 YRCWFFSPJIRMJB-RRFJBIMHSA-N 265.397 2.516 30 50 CFEA N#Cc1c(C(=O)O)cc(Br)cc1C(F)F 263623872 LLVLHYSJTMAQRI-UHFFFAOYSA-N 276.036 2.957 30 50 CFEA CCOC(=O)c1cccc(C#Cc2ccc(F)nc2)c1 1875303088 VLQLWAFWRJJOIO-UHFFFAOYSA-N 269.275 2.797 30 50 CFEA COc1cc(N2CCS[C@@H](C(C)C)C2)c(C#N)cn1 170613118 SVNRWPUBUYANNF-CYBMUJFWSA-N 277.393 2.540 30 50 CFEA Fc1cccc(/C=N/n2c(S)nnc2-c2cccnc2)c1 1251769 ZLTZTKUSYAUSRG-CAOOACKPSA-N 299.334 2.650 30 50 CFEA NC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCC1 5010614 WAWKYEJSWMGNFY-UHFFFAOYSA-N 299.399 2.751 30 50 CFEA OCC/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 16671258 QSIPHPLGPPTIRM-CPNJWEJPSA-N 291.354 2.951 30 50 CFEA Cc1cccc(/C(N)=N/OC(=O)COc2ccccc2C)c1 4318679 XOHSKDDJWDWMLQ-UHFFFAOYSA-N 298.342 2.546 30 50 CFEA C=CCn1c(Cc2ccc(OC)cc2)n[nH]c1=S 5910830 JPOUKOSETNCWJH-UHFFFAOYSA-N 261.350 2.726 30 50 CFEA in-vitro Cc1cc(C)c(C#N)c(N(C)Cc2scnc2C)n1 111617737 WKWKPPOFYRDMFR-UHFFFAOYSA-N 272.377 2.971 30 50 CFEA CCn1cc(/C=C2\Oc3cc(OC)ccc3C2=O)c(C)n1 4744817 YTABRRKXHJMCPS-CHHVJCJISA-N 284.315 2.836 30 50 CFEA O=C1C=CC(=O)[C@@H]2[C@H]3C[C@@H](C4=C3[C@H]3CC[C@H]4C34CC4)[C@@H]12 104298027 MCBYGSJBSIXZGL-SOIZKOKUSA-N 266.340 2.693 30 50 CFEA N#Cc1ccc(N2C[C@H]3[C@@H](O)CC[C@H]3C2)cc1C(F)(F)F 123599978 ZBYCDYNTYHJYNS-SUHUHFCYSA-N 296.292 2.784 30 50 CFEA C=CCc1cc(C)c(OCCN2CCOCC2)c(C)c1 20653480 AYXHNFZJHFOVJH-UHFFFAOYSA-N 275.392 2.743 30 50 CFEA CC[C@H]1c2ccccc2CCN1c1cnc(C#N)cn1 124711658 SZIIBRMLUVFIGM-HNNXBMFYSA-N 264.332 2.862 30 50 CFEA Cc1ccnc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1C#N 343280359 LTAFEEIJYGVTER-GDBMZVCRSA-N 297.333 2.713 30 50 CFEA N#CC1(C(=O)Nc2ccc(C(=O)O)cc2F)CCCC1 263187224 XGHBEWACMFVMQI-UHFFFAOYSA-N 276.267 2.546 30 50 CFEA Cc1nc(-n2cnnc2)ccc1-c1ccc(C#N)cc1 96149158 WQGPMQFODQJOJC-UHFFFAOYSA-N 261.288 2.509 30 50 CFEA O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H]1CO1 1875372960 QMLWQMBECMJTHY-VXGBXAGGSA-N 285.265 2.672 30 50 CFEA C=CCC1(CC=C)CCCCN1CCN1CCOCC1 1704339718 JXMCQJMPADOJBU-UHFFFAOYSA-N 278.440 2.696 30 50 CFEA N#CCc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 37211 ASHPHEJJPNVKPG-UHFFFAOYSA-N 281.271 2.913 30 50 CFEA CCOC(=O)CCc1nc(C#N)c(Nc2ccccc2)o1 2050024801 XKIFLUAOHXSGLQ-UHFFFAOYSA-N 285.303 2.786 30 50 CFEA N#Cc1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 2756169 NNBUYYVRVGUHFR-UHFFFAOYSA-N 278.193 2.880 30 50 CFEA C#CCCC1(CCC(=O)NC[C@@H]2CCc3cccnc32)N=N1 888096502 YPYQQLCXCONVCG-AWEZNQCLSA-N 296.374 2.583 30 50 CFEA CC1(C)OB(c2ccnc3ccccc23)OC1(C)C 169747299 LJFSIDNUMPTTAF-UHFFFAOYSA-N 255.126 2.534 30 50 CFEA in-vitro N#CC1(c2nc(-c3ccnc4ccnn34)no2)CCCCC1 585085440 PLAAXXAQOYIKMH-UHFFFAOYSA-N 294.318 2.505 30 50 CFEA Cc1cccc(C)c1-n1nnnc1CSCCCC#N 190922173 YPACBXNOOYBTJA-UHFFFAOYSA-N 287.392 2.816 30 50 CFEA N#Cc1c(NC[C@@]23CCCC[C@@H]2C3(F)F)cc[nH]c1=N 2325780800 QCIKPDRQHNEUNN-AAEUAGOBSA-N 278.306 2.603 30 50 CFEA C=CCOc1ccc(CNCc2cccnc2)cc1OC 2376266 CENPIJZBKAVSJN-UHFFFAOYSA-N 284.359 2.945 30 50 CFEA C=CCN(CC=C)S(=O)(=O)Cc1ccccc1Cl 4857754 UJUUWUAGAFJDKF-UHFFFAOYSA-N 285.796 2.844 30 50 CFEA CCCC[C@@H]1N=C(O)N(c2cc(C#N)ccc2C)C1=O 328595585 YQLXOXWBXUINCD-LBPRGKRZSA-N 271.320 2.686 30 50 CFEA C[Sn](C)(C)C#Cc1ccccc1 170153883 QYYZHXHYNLXWAW-UHFFFAOYSA-N 264.944 2.916 30 50 CFEA COc1ccc(-c2nccnc2C#N)c2ccc(C)nc12 65385265 HWEWVWDYYDJPGA-UHFFFAOYSA-N 276.299 2.881 30 50 CFEA C=CCCCC(=O)[C@@H]1C(=O)OC[C@@H]1Cc1ccccc1 43763659 NNMPPZSYZBXMHA-GOEBONIOSA-N 272.344 2.944 30 50 CFEA CC[C@H](C#N)C(=O)N[C@H]1c2ccccc2CC[C@H]1C 585090463 PKGVCTGVFZCJGV-LALPHHSUSA-N 256.349 2.976 30 50 CFEA COc1cccc(C(=O)/C=C/Nc2ccccc2C(N)=O)c1 463977 GMROFAIYWAWYKL-MDZDMXLPSA-N 296.326 2.603 30 50 CFEA C(=N\N1CCN(c2ccccc2)CC1)\c1cccs1 5052394 ITCIBPUXUFQHKN-SSZFMOIBSA-N 271.389 2.904 30 50 CFEA C=CCS(=O)(=O)N1CCC[C@@H](CCc2ccccc2)C1 15073281 RYNSITDRHPNLGY-INIZCTEOSA-N 293.432 2.847 30 50 CFEA N#C[C@H]1c2ccccc2C=CN1S(=O)(=O)c1ccccc1 399453 ZVRQOAPRTHETGA-INIZCTEOSA-N 296.351 2.926 30 50 CFEA in-vitro O=C1Nc2ccccc2/C1=N/N=C/c1cccs1 48336 LSUZCDDXFIBSPH-RIYZIHGNSA-N 255.302 2.523 30 50 CFEA N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1cccc(F)c1 274734 SOVNTVIAXUPVOP-UHFFFAOYSA-N 270.292 2.876 30 50 CFEA C=CCNC(=O)CSCc1ccc(Cl)cc1 2962297 WQEOMNXPVDNZGD-UHFFFAOYSA-N 255.770 2.875 30 50 CFEA Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/O 100535636 AHEKVNKLJMHRES-SFQUDFHCSA-N 284.363 2.979 30 50 CFEA O=[N+]([O-])c1ccc(COc2ccccc2/C=N/O)cc1 100895737 KZCHPZOHTBQOQV-OQLLNIDSSA-N 272.260 2.982 30 50 CFEA C[C@@H]1CN(Cc2nc(C#N)cs2)Cc2ccccc2O1 430127029 QTTOQDNANWKUAC-LLVKDONJSA-N 285.372 2.798 30 50 CFEA N=C(O)[C@@H]1CCC[C@H](/C(O)=N/[C@@H]2CCO[C@@H]2C2CC2)C1 329874374 FOUWZYIGNYUQAA-YVECIDJPSA-N 280.368 2.852 30 50 CFEA C[C@]1(C#N)CCCN(Cc2ccccc2-n2cccn2)C1 670452448 ZTNPVZWMBXLOQR-QGZVFWFLSA-N 280.375 2.998 30 50 CFEA C=CC[C@H]1CCC[C@@H]1NC(=O)/C=C/c1ccc(C(=O)O)o1 1875270620 MHFBNUXOKPTGNW-GAYDMYCYSA-N 289.331 2.852 30 50 CFEA Cn1ccc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c21 1772717072 SLAJAAZHAFAZKR-UHFFFAOYSA-N 275.132 2.617 30 50 CFEA C=C(C)C[C@@H](C)C(=O)N1CC[C@H](O)C12CCCCC2 585113635 CNLUOVPKKJQNLE-KGLIPLIRSA-N 265.397 2.885 30 50 CFEA CCCCc1nc(NCCO)c(C#N)c2c1CCCC2 19940054 HKUVCNAAVYKKAI-UHFFFAOYSA-N 273.380 2.579 30 50 CFEA N#Cc1c(F)cccc1OC[C@H]1CC2CCN1CC2 1857707034 XAADNXXUZNZALQ-GFCCVEGCSA-N 260.312 2.560 30 50 CFEA C=CCSc1nnc(-c2ccccc2Cl)n1N 1789718 JRUNOFPSFGSFFD-UHFFFAOYSA-N 266.757 2.590 30 50 CFEA N#CCNC(=O)C1c2ccccc2Oc2ccccc21 2316011 FBLFTTGITNFUOX-UHFFFAOYSA-N 264.284 2.564 30 50 CFEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)Cc1ccoc1 328623434 JDTXNWZIZUHBSV-JSGCOSHPSA-N 289.335 2.525 30 50 CFEA O=C1C=CC(=O)[C@H]2[C@@H]1[C@H]1C[C@H]2C2=C1[C@H]1CC[C@H]2C12CC2 257357116 MCBYGSJBSIXZGL-CJUQHOGZSA-N 266.340 2.693 30 50 CFEA C#CCCC1(CCC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)N=N1 952882515 UZJBIRXQURDHKT-BHYGNILZSA-N 293.370 2.797 30 50 CFEA C=C(C)COc1ccccc1NC(=O)c1[nH]cnc1C 952961687 SIXBZVSYBVYTRI-UHFFFAOYSA-N 271.320 2.925 30 50 CFEA N#Cc1ccc(NCC(=O)N2CCC[C@@H]2C(F)(F)F)cc1 585128209 VUPWACLAQCYVLM-GFCCVEGCSA-N 297.280 2.523 30 50 CFEA O=S(=O)(N/N=C/c1cccc(Cl)c1)c1ccccc1 1386345 MHDDDRMVMUQHTI-XNTDXEJSSA-N 294.763 2.652 30 50 CFEA CN(C)C[C@H](C/N=C(/O)CC#N)c1ccc(Cl)cc1 328597126 DSSPPAJNXMVRNP-LBPRGKRZSA-N 279.771 2.855 30 50 CFEA Cc1cnc(F)c(-c2cn(-c3ccc(C#N)cc3)nn2)c1 2325818314 WJTAOWYAEYDMKP-UHFFFAOYSA-N 279.278 2.649 30 50 CFEA C=C(CN(C)Cc1c(C)nn(-c2ccccc2)c1C)C(=O)O 2325851491 AEPYTBLKQCFGOL-UHFFFAOYSA-N 299.374 2.562 30 50 CFEA CCCC(=O)NC(=S)Nc1sc(C)c(C)c1C#N 1067804 NWEPHJAVWQUBBH-UHFFFAOYSA-N 281.406 2.850 30 50 CFEA N#Cc1cccnc1SCC(=O)N1CCc2ccccc21 7051503 MQPVUOSTAMTHNL-UHFFFAOYSA-N 295.367 2.635 30 50 CFEA CCc1nnc(C[C@@H]2CC[C@H](Nc3ccc(C#N)cn3)C2)o1 1775957573 BNQMHKNVCODNCS-YPMHNXCESA-N 297.362 2.722 30 50 CFEA N#Cc1c(N)nc(-c2ccccc2)nc1C(F)(F)F 40505 VKYVHZNDUDCIAZ-UHFFFAOYSA-N 264.210 2.616 30 50 CFEA C=C/C(O)=N/CC1(c2ccc3c(c2)OCO3)CCOCC1 328594581 VXNILPHEWSSTRE-UHFFFAOYSA-N 289.331 2.606 30 50 CFEA C=C(C)COc1cccc(C(=O)NC[C@]2(C)CCCO2)c1 55404844 HTOMQQPPNHRKGF-KRWDZBQOSA-N 289.375 2.940 30 50 CFEA Cc1cc(C)c(C#N)c(-c2ccc3c(c2)OCO3)n1 71747459 MEBGDQCADILEAL-UHFFFAOYSA-N 252.273 2.966 30 50 CFEA CC[C@H](CC(F)(F)F)Nc1nc(C)cc(C#N)n1 588017514 BYVFBNGMLFEXBO-MRVPVSSYSA-N 258.247 2.800 30 50 CFEA CC1(C)OB([C@@H](CCN)c2ccccc2)OC1(C)C 1775956079 OHTIIHOFURCDQJ-ZDUSSCGKSA-N 261.174 2.750 30 50 CFEA COc1cc(Br)c(CC#N)cc1OC 2565986 OYPMCZMEPRFUFJ-UHFFFAOYSA-N 256.099 2.532 30 50 CFEA in-vitro CCNCC#CCOc1ccc(Cl)c(Cl)c1 16623872 FOMJZGFZZQLDMY-UHFFFAOYSA-N 258.148 2.985 30 50 CFEA CN(C)c1ccc(/C=N/Nc2nccnc2Cl)cc1 4595736 RWUAYHRIIAZFLD-RQZCQDPDSA-N 275.743 2.642 30 50 CFEA C#CCn1c([C@@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 4386018 ATJVWNJPBUHQMK-CYBMUJFWSA-N 295.386 2.784 30 50 CFEA C[C@H](CN(C)c1ccc(C(F)(F)F)c(C#N)c1)C(=O)O 163849677 WUHWRVZLFNPEBA-MRVPVSSYSA-N 286.253 2.734 30 50 CFEA N#Cc1nn(-c2ccccc2)c(=O)cc1Oc1ccccc1 1389143 SBWUYVMOHBMEDZ-UHFFFAOYSA-N 289.294 2.896 30 50 CFEA COC(=O)[C@H]1CCN(c2cc(Cl)ccc2C#N)C[C@H]1C 276901687 MITRNZCWZUTMEF-MFKMUULPSA-N 292.766 2.847 30 50 CFEA CC(C)[C@H]1OCC[C@H]1C(=O)N(CCC#N)Cc1ccco1 278110184 QZJJWJZWKDJGIK-HUUCEWRRSA-N 290.363 2.583 30 50 CFEA CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NC[C@H](C)C#N 1614974067 DCJSYVMARNMFHQ-FRRDWIJNSA-N 283.416 2.673 30 50 CFEA CC(C)(C#N)c1nc(-c2ncc(Br)s2)no1 1615549721 IYLRLXJKBAZZPM-UHFFFAOYSA-N 299.153 2.757 30 50 CFEA C=CCn1c(O)nnc1SCC12CCC(C)(CC1)OC2 1616035046 PLJWAMPSMODLHS-UHFFFAOYSA-N 295.408 2.611 30 50 CFEA C=CCN1C[C@@H](c2nc3ccccc3n2CCC)CC1=O 4385971 MFUMQXOVMUIAOT-ZDUSSCGKSA-N 283.375 2.948 30 50 CFEA Cc1nnc(C)n1/N=C/c1c(F)cccc1Cl 228392 LARYRSKAWNNVML-MKMNVTDBSA-N 252.680 2.570 30 50 CFEA C/C(=N\N1CCN(c2ccccc2)CC1)c1ccncc1 4889348 DDYNGXWHGOBMHI-XDJHFCHBSA-N 280.375 2.628 30 50 CFEA O=C(Nc1ccccc1)/C(O)=C/C(=O)c1ccccc1 100330964 VYTANSFCJLTITO-PTNGSMBKSA-N 267.284 2.950 30 50 CFEA N#C[C@@H](NC(=O)c1cnc(C2CC2)o1)C1CCCCC1 889819142 IFJYRDHZCCFSTN-GFCCVEGCSA-N 273.336 2.754 30 50 CFEA CNc1oc([C@@H]2C[C@@H]2c2ccc(F)cc2)nc1C#N 1775976793 UXKFATQMIYTUJM-GHMZBOCLSA-N 257.268 2.998 30 50 CFEA CCOC(=O)C1=C(C)N/C(=C/c2ccc(Cl)cc2)C1=O 2490364 MRPLGPOVYQHIMN-XYOKQWHBSA-N 291.734 2.690 30 50 CFEA COC1(CC/N=C(/O)[C@@H]2C[C@H](C)CC(O)=N2)CCC1 329375240 KSTGXTSBMFDMDI-QWRGUYRKSA-N 268.357 2.657 30 50 CFEA C=CCNc1nc(N)c(C(=O)c2ccc(OC)cc2)s1 4718151 VGGZUNCSIPNVBQ-UHFFFAOYSA-N 289.360 2.563 30 50 CFEA CN(C(=O)c1cccc(C#N)c1)C1Cc2ccccc2C1 55626892 ZBGGEYNLHHDWGU-UHFFFAOYSA-N 276.339 2.798 30 50 CFEA N#Cc1cc(N2C[C@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-] 123696977 ZXURDJSEQCBKJV-PHIMTYICSA-N 257.293 2.703 30 50 CFEA CCc1nc(C)c(-c2cc(C(C)C)nc(N)c2C#N)[nH]1 67724800 DLGDOBXZTUUASS-UHFFFAOYSA-N 269.352 2.920 30 50 CFEA C[C@H](CNc1cc(C#N)ccc1C(F)(F)F)[S@](C)=O 128306197 CHFRRTITTRVKTD-LILOVNGRSA-N 290.310 2.756 30 50 CFEA Cc1ccnc2[nH]c([C@@H](C#N)C(=O)[C@@H](C)C(C)C)nc12 750723381 IQFBGCCZNXNMIX-QWRGUYRKSA-N 270.336 2.735 30 50 CFEA C=C[C@@H](O)C#CC#C[C@@H](O)/C=C/CCCCCCC 1531105 QWCNQXNAFCBLLV-KPJVXMDVSA-N 260.377 2.818 30 50 CFEA biogenic,in-vitro N#CCC(=O)NN1c2ccccc2CCc2ccccc21 355041 IWJHTJIPZVWGEN-UHFFFAOYSA-N 277.327 2.868 30 50 CFEA biogenic C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCCOCC1 333528565 XPHSGTNDWDHAJT-DZGCQCFKSA-N 286.375 2.894 30 50 CFEA N#Cc1ccccc1CN1CC[C@]2(CCCO2)CCC1=O 72145656 IOTSPRXXOGHJRH-KRWDZBQOSA-N 284.359 2.620 30 50 CFEA Cc1nc(NC[C@@H]2CCN(CC(F)(F)F)C2)ccc1C#N 291669992 PXLXECSESSFVAS-NSHDSACASA-N 298.312 2.558 30 50 CFEA CC#CC(=O)N(Cc1ccncc1)Cc1ccncc1Cl 1875376978 ORNPILGXHIFCOT-UHFFFAOYSA-N 299.761 2.682 30 50 CFEA CCOC(=O)/C(C#N)=N/Nc1ccc(Cl)c(Cl)c1 68744 WMSCINGRVJZMPS-MHWRWJLKSA-N 286.118 2.848 30 50 CFEA C#CCN1C(=O)S/C(=C/c2ccc(C)s2)C1=O 17145900 AFVTVKQOMCEMMZ-JXMROGBWSA-N 263.343 2.726 30 50 CFEA CC1(C)C[C@H](O)CCN(Cc2ccccc2C#N)C1 294699593 ASXLMSZKVNOKNC-OAHLLOKOSA-N 258.365 2.541 30 50 CFEA C=CC[C@]1(CO)CCCN(Cc2snnc2C(C)C)C1 91755116 AILRBGQPECNRHO-HNNXBMFYSA-N 295.452 2.812 30 50 CFEA CC[C@@H](CC#N)NC(=O)C1CCN(Cc2ccccc2)CC1 368358746 XVYAWJWQYJTPGL-KRWDZBQOSA-N 299.418 2.707 30 50 CFEA C=CC(=O)N1CCCC[C@H]1[C@H](C#N)c1ccccc1 2325884440 WWOONGZCJCPBBF-CABCVRRESA-N 254.333 2.861 30 50 CFEA C=CC[C@H](NC[C@H](C)CCc1ccccc1)C(=O)O 426801186 SJVGYWFBEFDYLB-HIFRSBDPSA-N 261.365 2.874 30 50 CFEA CC[C@H](/N=C(/O)c1ccoc1C)[C@@H](O)C(F)(F)F 330561083 IUQDGHFDHHOVCB-DTWKUNHWSA-N 265.231 2.594 30 50 CFEA COc1cc(C(F)F)ccc1B1OC(C)(C)C(C)(C)O1 215522873 ZQAOHMPGZMCIQO-UHFFFAOYSA-N 284.111 2.932 30 50 CFEA COc1ccc2c(c1)[C@@H](C)N(C(=O)c1cc(C#N)c[nH]1)CC2 426477330 FFESABCHHDROCZ-LLVKDONJSA-N 295.342 2.654 30 50 CFEA COc1cccc(C#C[C@]2(O)CCC[C@@H]3C(=O)CCC[C@H]32)c1 248266015 ZENPXSROBMXPQX-YQVWRLOYSA-N 298.382 2.947 30 50 CFEA N#Cc1ccc2ncc(CN3CCC[C@@H]4CCC[C@H]43)n2c1 245560754 NGWDLZDILKQOCC-GOEBONIOSA-N 280.375 2.970 30 50 CFEA C[C@@H](NC[C@@H](O)Cc1ccccc1)c1ccc(C#N)cc1 242191406 XFHURGURVKPPGL-KDOFPFPSSA-N 280.371 2.812 30 50 CFEA C#CC1CC(NC(=O)N2[C@H]3CCC[C@H]2CC2(CC2)C3)C1 2325827376 DPQSPBMYJDQWDF-WUCCLRPBSA-N 272.392 2.905 30 50 CFEA COc1ccccc1C(=O)Nc1ccccc1C#N 341684 STJHSSQDBAQLCN-UHFFFAOYSA-N 252.273 2.819 30 50 CFEA CCCN(/C=N/S(=O)(=O)c1ccccc1)CCC 4995947 ACELTAKZUUQBBL-WYMLVPIESA-N 268.382 2.526 30 50 CFEA N#CCc1ccc(C(F)(F)F)nc1Br 238570495 ZRQMHVXLUNJPCE-UHFFFAOYSA-N 265.032 2.929 30 50 CFEA C#CCCCCC(=O)OCc1nc[nH]c1C(F)(F)F 585136124 RJKGXZMZAHIXME-UHFFFAOYSA-N 274.242 2.665 30 50 CFEA C[C@@H](NC(=O)[C@H]1CO1)c1ccc(Cl)cc1Cl 1875372970 QQIFHVVTCUZXAW-LHLIQPBNSA-N 260.120 2.569 30 50 CFEA CC1CC(C#N)(C(=O)Nc2ccc3ccnc(O)c3c2)C1 581880293 AZDGCCRMWKXYDR-UHFFFAOYSA-N 281.315 2.819 30 50 CFEA C/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1O 18107064 OPVFHCHQMDXESX-DHDCSXOGSA-N 287.275 2.842 30 50 CFEA CC1(C)OB(c2ccc(C(F)(F)F)o2)OC1(C)C 585671979 JFIIZYKCPVHTLX-UHFFFAOYSA-N 262.036 2.598 30 50 CFEA C=C1c2ccccc2C(=O)[C@]23O[C@]12[C@H]1C=C[C@H]3CC1 101047572 LVWQIFOIVONKDF-SYWGBEHUSA-N 250.297 3.000 30 50 CFEA CCC[C@@H]1O[C@@]23CCCC[C@@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3 137453979 GXTWAXDCKTXFAL-NOXHYTERSA-N 298.346 2.623 30 50 CFEA N#C[C@@H]1CC[C@H](N2CCC[C@H](c3ccncc3)C2)C1 295892732 HWBJWJUFJIANLT-KBMXLJTQSA-N 255.365 2.953 30 50 CFEA C[C@@H]1OB(c2ccccc2)O[C@H](C)[C@H]1c1ccccc1 252427743 DPXZSTGHDSUTMC-XOIINTDNSA-N 266.149 2.989 30 50 CFEA C[C@H](C(=O)O)n1cc(-c2ccc(C(C)(C)C#N)cc2)cn1 534649871 OOGFIBUQJUXNNP-LLVKDONJSA-N 283.331 2.997 30 50 CFEA C#CCCC1(CCC(=O)N2CCO[C@H]3CCCC[C@H]32)N=N1 952882051 LDZBVDFIJKADEB-KGLIPLIRSA-N 289.379 2.512 30 50 CFEA N#CC[C@]1(O)CCN(Cc2csc(C(F)(F)F)c2)C1 600168467 YGVGIOIZOQVPAS-NSHDSACASA-N 290.310 2.617 30 50 CFEA C[C@H](c1cccc(C#N)c1)N1CCC(Cn2ccnn2)CC1 187716087 JEROZLATKHCQQE-CQSZACIVSA-N 295.390 2.623 30 50 CFEA CC1(C)OB(c2ccc(Cl)c(C#N)c2F)OC1(C)C 307000849 AUEFLPPTRXAVRW-UHFFFAOYSA-N 281.523 2.650 30 50 CFEA CC1(C)CC(=O)C=C(Nc2cc([N+](=O)[O-])ccc2N)C1 5073589 DELUDWXYAVGKSY-UHFFFAOYSA-N 275.308 2.862 30 50 CFEA COc1ccc(C(=NO)c2ccc(OC)cc2)cc1 1555694 QTSWPNAWJHHXKG-UHFFFAOYSA-N 257.289 2.930 30 50 CFEA Cc1cccc[n+]1CC(=O)c1ccc(Br)cc1 1664824 BFIMGEMGJMGKRU-UHFFFAOYSA-N 291.168 2.928 30 50 CFEA CC(C)Nc1ncc(-c2cc(C(C)C)nc(N)c2C#N)cn1 67674615 UDTXYTZGGWGBRZ-UHFFFAOYSA-N 296.378 2.936 30 50 CFEA CC#CC(=O)NCc1ccccc1SC(F)(F)F 890855870 DJSZRPFVAJPFOI-UHFFFAOYSA-N 273.279 2.938 30 50 CFEA CC1(C)OB(c2cc(Cl)ccc2C#N)OC1(C)C 205150628 GCMXNGTXQFEURI-UHFFFAOYSA-N 263.533 2.511 30 50 CFEA CN(CCSc1ccc(C#N)nn1)Cc1ccccc1 225713862 JXJSQFKUQHKXCH-UHFFFAOYSA-N 284.388 2.572 30 50 CFEA COC(=O)c1cccc(/C=C/C(=O)c2cnn(C(C)C)c2)n1 821038640 KAHFLKJYZLZEFO-BQYQJAHWSA-N 299.330 2.542 30 50 CFEA C[C@H](N[C@@H](C)c1nccn1C)c1cccc(C#N)c1 611393331 CJIBBABWDSAKIO-RYUDHWBXSA-N 254.337 2.704 30 50 CFEA